(4-cyanophenyl)methyl-[3-[methyl(phenyl)amino]propyl]azanium

Systemtic Name: (4-cyanophenyl)methyl-[3-[methyl(phenyl)amino]propyl]azanium Openeye Name: (4-cyanophenyl)methyl-[3-(N-methylanilino)propyl]ammonium CAS Name: (4-cyanophenyl)methyl-[3-(N-methylanilino)propyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-[3-(N-methylanilino)propyl]azanium Traditional Name: (4-cyanobenzyl)-[3-(N-methylanilino)propyl]ammonium Formula: C18H22N3+ MolecularWeight: 280.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3/c1-21(18-6-3-2-4-7-18)13-5-12-20-15-17-10-8-16(14-19)9-11-17/h2-4,6-11,20H,5,12-13,15H2,1H3/p+1