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

Systemtic Name: (3-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: m-tolyl-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone CAS Name: (3-methylphenyl)-[4-(4-piperidin-1-iumylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: m-tolyl-[4-(piperidin-1-ium-4-ylmethyl)piperazino]methanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-15-3-2-4-17(13-15)18(22)21-11-9-20(10-12-21)14-16-5-7-19-8-6-16/h2-4,13,16,19H,5-12,14H2,1H3/p+1