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

Systemtic Name: 3-methylbutyl-[(3-methylphenyl)methyl]-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: isopentyl-(m-tolylmethyl)-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-methylbutyl-[(3-methylphenyl)methyl]-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: 3-methylbutyl-[(3-methylphenyl)methyl]-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: isoamyl-(3-methylbenzyl)-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C26H35N2+ MolecularWeight: 375.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CCC(C)C)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CCC(C)C)CC3=CC=CC(=C3)C

InChI

InChI=1S/C26H34N2/c1-21(2)13-15-27(18-24-10-5-8-22(3)16-24)20-26-12-7-14-28(26)19-25-11-6-9-23(4)17-25/h5-12,14,16-17,21H,13,15,18-20H2,1-4H3/p+1