4-(2-hydroxyethyl)-N-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2-hydroxyethyl)-N-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-hydroxyethyl)-N-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-(2-hydroxyethyl)-N-[(3S)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-hydroxyethyl)-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-hydroxyethyl)-N-[(3S)-5-keto-1-(3-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)NC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H26N4O4/c1-26-16-4-2-3-15(12-16)22-13-14(11-17(22)24)19-18(25)21-7-5-20(6-8-21)9-10-23/h2-4,12,14,23H,5-11,13H2,1H3,(H,19,25)/p+1/t14-/m0/s1