2-(4,6-diaminocarbonyl-5-ethyl-1-propyl-pyridin-1-ium-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate nitrate

Systemtic Name: 2-(4,6-diaminocarbonyl-5-ethyl-1-propyl-pyridin-1-ium-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate nitrate Openeye Name: 2-(4,6-dicarbamoyl-5-ethyl-1-propyl-pyridin-1-ium-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate nitrate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 2-(4,6-dicarbamoyl-5-ethyl-1-propyl-3-pyridin-1-iumyl)ethyl ester nitrate IUPAC Name: 2-(4,6-dicarbamoyl-5-ethyl-1-propylpyridin-1-ium-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate nitrate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 2-(4,6-dicarbamoyl-5-ethyl-1-propyl-pyridin-1-ium-3-yl)ethyl ester nitrate Formula: C24H31N5O7 MolecularWeight: 501.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)C2C3=CC=CC=C3CCN2)C(=O)N)CC)C(=O)N.[N+](=O)([O-])[O-]

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)C2C3=CC=CC=C3CCN2)C(=O)N)CC)C(=O)N.[N+](=O)([O-])[O-]

InChI

InChI=1S/C24H30N4O4.NO3/c1-3-12-28-14-16(19(22(25)29)17(4-2)21(28)23(26)30)10-13-32-24(31)20-18-8-6-5-7-15(18)9-11-27-20;2-1(3)4/h5-8,14,20,27H,3-4,9-13H2,1-2H3,(H3-,25,26,29,30);/q;-1/p+1