(3-methylphenyl)-(4-piperazin-4-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: (3-methylphenyl)-(4-piperazin-4-ium-1-ylpiperidin-1-yl)methanone Openeye Name: m-tolyl-(4-piperazin-4-ium-1-yl-1-piperidyl)methanone CAS Name: (3-methylphenyl)-[4-(1-piperazin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: (3-methylphenyl)-(4-piperazin-4-ium-1-ylpiperidin-1-yl)methanone Traditional Name: m-tolyl-(4-piperazin-4-ium-1-ylpiperidino)methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC(CC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC(CC2)N3CC[NH2+]CC3

InChI

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