1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(m-tolyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(m-tolyl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C18H25N2+ MolecularWeight: 269.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCCCCC3

InChI

InChI=1S/C18H24N2/c1-16-8-6-9-17(14-16)20-13-7-10-18(20)15-19-11-4-2-3-5-12-19/h6-10,13-14H,2-5,11-12,15H2,1H3/p+1