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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-15-4-6-17(7-5-15)18(22)21-10-2-3-16(14-21)13-20-11-8-19-9-12-20/h4-7,16,19H,2-3,8-14H2,1H3/p+1/t16-/m1/s1