1-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C27H31N3O2/c1-19-17-24(25(31)18-29-15-13-23(14-16-29)27(28)32)20(2)30(19)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17,23,26H,13-16,18H2,1-2H3,(H2,28,32)/p+1