[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl-(p-tolylmethyl)ammonium CAS Name: [4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [4-[2-cyanoethyl(ethyl)amino]-2-methyl-benzyl]-(4-methylbenzyl)ammonium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3/c1-4-24(13-5-12-22)21-11-10-20(18(3)14-21)16-23-15-19-8-6-17(2)7-9-19/h6-11,14,23H,4-5,13,15-16H2,1-3H3/p+1