[1-(2-cyanoethyl)indol-3-yl]methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [1-(2-cyanoethyl)indol-3-yl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [1-(2-cyanoethyl)indol-3-yl]methyl-(p-tolylmethyl)ammonium CAS Name: [1-(2-cyanoethyl)-3-indolyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [1-(2-cyanoethyl)indol-3-yl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [1-(2-cyanoethyl)indol-3-yl]methyl-(4-methylbenzyl)ammonium Formula: C20H22N3+ MolecularWeight: 304.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H21N3/c1-16-7-9-17(10-8-16)13-22-14-18-15-23(12-4-11-21)20-6-3-2-5-19(18)20/h2-3,5-10,15,22H,4,12-14H2,1H3/p+1