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

Systemtic Name: (2-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: o-tolyl-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone CAS Name: (2-methylphenyl)-[4-(4-piperidin-1-iumylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: o-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=C1C(=O)N2CCN(CC2)CC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)CC3CC[NH2+]CC3

InChI

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