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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(benzhydrylamino)-2-oxo-ethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(diphenylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(benzhydrylamino)-2-oxoethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(benzhydrylamino)-2-keto-ethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Formula: C28H30N3O4+ MolecularWeight: 472.5555

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c32-26(30-27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)18-31-15-13-22(14-16-31)28(33)29-23-11-12-24-25(17-23)35-19-34-24/h1-12,17,22,27H,13-16,18-19H2,(H,29,33)(H,30,32)/p+1