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

Systemtic Name: [3-aminocarbonyl-6-ethoxy-4-ethyl-5-(ethylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: [3-carbamoyl-6-ethoxy-4-ethyl-5-(ethylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [3-carbamoyl-6-ethoxy-4-ethyl-5-(ethylcarbamoyl)-1-propyl-2-pyridin-1-iumyl] ester IUPAC Name: [3-carbamoyl-6-ethoxy-4-ethyl-5-(ethylcarbamoyl)-1-propylpyridin-1-ium-2-yl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [3-carbamoyl-6-ethoxy-4-ethyl-5-(ethylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] ester Formula: C26H35N4O5+ MolecularWeight: 483.5799

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1OCC)C(=O)NCC)CC)C(=O)N)OC(=O)C2C3=CC=CC=C3CCN2

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1OCC)C(=O)NCC)CC)C(=O)N)OC(=O)C2C3=CC=CC=C3CCN2

InChI

InChI=1S/C26H34N4O5/c1-5-15-30-24(34-8-4)20(23(32)28-7-3)17(6-2)19(22(27)31)25(30)35-26(33)21-18-12-10-9-11-16(18)13-14-29-21/h9-12,21,29H,5-8,13-15H2,1-4H3,(H2-,27,28,31,32)/p+1