1-ethyl-4-[(2-methylphenyl)methylamino]piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-ethyl-4-[(2-methylphenyl)methylamino]piperidin-1-ium-4-carbonitrile Openeye Name: 1-ethyl-4-(o-tolylmethylamino)piperidin-1-ium-4-carbonitrile CAS Name: 1-ethyl-4-[(2-methylphenyl)methylamino]-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-ethyl-4-[(2-methylphenyl)methylamino]piperidin-1-ium-4-carbonitrile Traditional Name: 1-ethyl-4-[(2-methylbenzyl)amino]piperidin-1-ium-4-carbonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)(C#N)NCC2=CC=CC=C2C

Isomeric SMILES

CC[NH+]1CCC(CC1)(C#N)NCC2=CC=CC=C2C

InChI

InChI=1S/C16H23N3/c1-3-19-10-8-16(13-17,9-11-19)18-12-15-7-5-4-6-14(15)2/h4-7,18H,3,8-12H2,1-2H3/p+1