4-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4CC(=O)N(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N[C@H]4CC(=O)N(C4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O4/c28-22-13-18(15-27(22)19-4-2-1-3-5-19)24-23(29)26-10-8-25(9-11-26)14-17-6-7-20-21(12-17)31-16-30-20/h1-7,12,18H,8-11,13-16H2,(H,24,29)/p+1/t18-/m0/s1