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

Systemtic Name: [1-(4-ethoxyphenyl)-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-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium CAS Name: [1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyl]ammonium Formula: C27H37N3O+2 MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H35N3O/c1-4-31-27-12-10-26(11-13-27)30-21(2)18-24(22(30)3)19-28-25-14-16-29(17-15-25)20-23-8-6-5-7-9-23/h5-13,18,25,28H,4,14-17,19-20H2,1-3H3/p+2