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

Systemtic Name: 3-methylbutyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-isopentyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-methylbutyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(3-methylbutyl)-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-isoamyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H33N2+ MolecularWeight: 361.54292

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2/c1-21(2)14-16-26(18-23-10-5-4-6-11-23)20-25-13-8-15-27(25)19-24-12-7-9-22(3)17-24/h4-13,15,17,21H,14,16,18-20H2,1-3H3/p+1