(2-methylphenyl)-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methylphenyl)-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: o-tolyl-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (2-methylphenyl)-[4-(4-piperidin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: o-tolyl-(4-piperidin-1-ium-4-ylpiperazino)methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c1-14-4-2-3-5-16(14)17(21)20-12-10-19(11-13-20)15-6-8-18-9-7-15/h2-5,15,18H,6-13H2,1H3/p+1