[3-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]-2-methoxy-propyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: [3-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]-2-methoxy-propyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: [3-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]-2-methoxy-propyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [3-[6-[anilino(oxo)methyl]-4-carbamoyl-5-ethyl-1-propyl-3-pyridin-1-iumyl]-2-methoxypropyl] ester IUPAC Name: [3-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]-2-methoxypropyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [3-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]-2-methoxy-propyl] ester Formula: C32H39N4O5+ MolecularWeight: 559.67586

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CC(COC(=O)C2C3=CC=CC=C3CCN2)OC)C(=O)N)CC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CC(COC(=O)C2C3=CC=CC=C3CCN2)OC)C(=O)N)CC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C32H38N4O5/c1-4-17-36-19-22(27(30(33)37)25(5-2)29(36)31(38)35-23-12-7-6-8-13-23)18-24(40-3)20-41-32(39)28-26-14-10-9-11-21(26)15-16-34-28/h6-14,19,24,28,34H,4-5,15-18,20H2,1-3H3,(H2-,33,35,37,38)/p+1