(2-methylphenyl)methyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium

Systemtic Name: (2-methylphenyl)methyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-(o-tolylmethyl)ammonium CAS Name: (2-methylphenyl)methyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2-methylphenyl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-(2-methylbenzyl)ammonium Formula: C23H27N2+ MolecularWeight: 331.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC=C)CC2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC=C)CC2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2/c1-3-15-24(18-22-13-8-7-10-20(22)2)19-23-14-9-16-25(23)17-21-11-5-4-6-12-21/h3-14,16H,1,15,17-19H2,2H3/p+1