[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-oxo-2-(p-tolylmethylamino)ethyl]ammonium CAS Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-keto-2-[(4-methylbenzyl)amino]ethyl]ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18-7-9-19(10-8-18)15-24-22(26)16-23-21-11-13-25(14-12-21)17-20-5-3-2-4-6-20/h2-10,21,23H,11-17H2,1H3,(H,24,26)/p+2