(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-(p-tolylmethyl)ammonium CAS Name: (5-cyano-1,2-dimethyl-3-pyrrolyl)methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (5-cyano-1,2-dimethylpyrrol-3-yl)methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-(4-methylbenzyl)ammonium Formula: C16H20N3+ MolecularWeight: 254.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=C(N(C(=C2)C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=C(N(C(=C2)C#N)C)C

InChI

InChI=1S/C16H19N3/c1-12-4-6-14(7-5-12)10-18-11-15-8-16(9-17)19(3)13(15)2/h4-8,18H,10-11H2,1-3H3/p+1