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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCC(C2)CN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC[C@@H](C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-15-4-2-6-17(12-15)18(22)21-9-3-5-16(14-21)13-20-10-7-19-8-11-20/h2,4,6,12,16,19H,3,5,7-11,13-14H2,1H3/p+1/t16-/m1/s1