[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium CAS Name: [1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium Formula: C26H35N3O+2 MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O/c1-20-17-23(21(2)29(20)25-9-11-26(30-3)12-10-25)18-27-24-13-15-28(16-14-24)19-22-7-5-4-6-8-22/h4-12,17,24,27H,13-16,18-19H2,1-3H3/p+2