(4-methoxycarbonylphenyl)methyl-[2-[(2R)-5-oxidanylidene-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-5-oxidanylidene-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-5-oxo-1-[3-(4-pyridyl)propyl]pyrrolidin-2-yl]ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-5-oxo-1-(3-pyridin-4-ylpropyl)-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-5-oxo-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-yl]ethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[2-[(2R)-5-keto-1-[3-(4-pyridyl)propyl]pyrrolidin-2-yl]ethyl]ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CCC2CCC(=O)N2CCCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC[C@H]2CCC(=O)N2CCCC3=CC=NC=C3

InChI

InChI=1S/C23H29N3O3/c1-29-23(28)20-6-4-19(5-7-20)17-25-15-12-21-8-9-22(27)26(21)16-2-3-18-10-13-24-14-11-18/h4-7,10-11,13-14,21,25H,2-3,8-9,12,15-17H2,1H3/p+1/t21-/m1/s1