[(1S)-2-azaniumyl-1-[1-(4-methylphenyl)pyrrol-2-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[1-(4-methylphenyl)pyrrol-2-yl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[1-(p-tolyl)pyrrol-2-yl]ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[1-(4-methylphenyl)-2-pyrrolyl]ethyl]-dimethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[1-(4-methylphenyl)pyrrol-2-yl]ethyl]-dimethylazanium Traditional Name: [(1S)-2-ammonio-1-[1-(p-tolyl)pyrrol-2-yl]ethyl]-dimethyl-ammonium Formula: C15H23N3+2 MolecularWeight: 245.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC=C2C(C[NH3+])[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC=C2[C@H](C[NH3+])[NH+](C)C

InChI

InChI=1S/C15H21N3/c1-12-6-8-13(9-7-12)18-10-4-5-14(18)15(11-16)17(2)3/h4-10,15H,11,16H2,1-3H3/p+2/t15-/m0/s1