N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]piperidin-1-ium-4-carboxamide Formula: C28H30N3O4+ MolecularWeight: 472.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H29N3O4/c1-19-7-9-22(10-8-19)29-28(33)26(20-5-3-2-4-6-20)31-15-13-21(14-16-31)27(32)30-23-11-12-24-25(17-23)35-18-34-24/h2-12,17,21,26H,13-16,18H2,1H3,(H,29,33)(H,30,32)/p+1/t26-/m0/s1