N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H26N4O4/c1-20-6-8-21(9-7-20)18(24)19-13-10-17(23)22(12-13)14-4-5-15(25-2)16(11-14)26-3/h4-5,11,13H,6-10,12H2,1-3H3,(H,19,24)/p+1/t13-/m0/s1