(2-methoxycarbonylphenyl)methyl-(3-methylbutyl)-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: (2-methoxycarbonylphenyl)methyl-(3-methylbutyl)-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: isopentyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: (2-methoxycarbonylphenyl)methyl-(3-methylbutyl)-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: (2-methoxycarbonylphenyl)methyl-(3-methylbutyl)-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-carbomethoxybenzyl)-isoamyl-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C27H35N2O2+ MolecularWeight: 419.579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CCC(C)C)CC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CCC(C)C)CC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C27H34N2O2/c1-21(2)15-17-28(19-24-8-5-6-10-26(24)27(30)31-4)20-25-9-7-16-29(25)18-23-13-11-22(3)12-14-23/h5-14,16,21H,15,17-20H2,1-4H3/p+1