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

Systemtic Name: N-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-1-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: 1-benzyl-N-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidin-1-ium-4-amine CAS Name: N-[[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methyl]-1-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: 1-benzyl-N-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]piperidin-1-ium-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyl]amine Formula: C27H36N3O+ MolecularWeight: 418.59424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)CNC3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)CNC3CC[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+1