(3S,4S)-3-[4-(3-methoxyphenyl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(2-methylphenyl)-4-oxidanyl-pyrrolidine-1-carboxamide

Systemtic Name: (3S,4S)-3-[4-(3-methoxyphenyl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(2-methylphenyl)-4-oxidanyl-pyrrolidine-1-carboxamide Openeye Name: (3S,4S)-3-hydroxy-4-[4-(3-methoxyphenyl)-3-oxo-piperazin-1-ium-1-yl]-N-(o-tolyl)pyrrolidine-1-carboxamide CAS Name: (3S,4S)-3-hydroxy-4-[4-(3-methoxyphenyl)-3-oxo-1-piperazin-1-iumyl]-N-(2-methylphenyl)-1-pyrrolidinecarboxamide IUPAC Name: (3S,4S)-3-hydroxy-4-[4-(3-methoxyphenyl)-3-oxopiperazin-1-ium-1-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide Traditional Name: (3S,4S)-3-hydroxy-4-[3-keto-4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(o-tolyl)pyrrolidine-1-carboxamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CC(C(C2)O)[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2C[C@@H]([C@H](C2)O)[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H28N4O4/c1-16-6-3-4-9-19(16)24-23(30)26-13-20(21(28)14-26)25-10-11-27(22(29)15-25)17-7-5-8-18(12-17)31-2/h3-9,12,20-21,28H,10-11,13-15H2,1-2H3,(H,24,30)/p+1/t20-,21-/m0/s1