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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C28H30N3O5+ MolecularWeight: 488.5549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H29N3O5/c1-34-23-9-5-8-21(16-23)30-28(33)26(19-6-3-2-4-7-19)31-14-12-20(13-15-31)27(32)29-22-10-11-24-25(17-22)36-18-35-24/h2-11,16-17,20,26H,12-15,18H2,1H3,(H,29,32)(H,30,33)/p+1/t26-/m0/s1