[4-(3-methylphenyl)piperazin-1-yl]-piperidin-1-ium-4-yl-methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-piperidin-1-ium-4-yl-methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-piperidin-1-ium-4-yl-methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-(4-piperidin-1-iumyl)methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-piperidin-1-ium-4-ylmethanone Traditional Name: [4-(m-tolyl)piperazino]-piperidin-1-ium-4-yl-methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH2+]CC3

InChI

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