1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[4-(p-tolyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[4-(p-tolyl)piperazino]propan-1-one Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H31N3O/c1-17-5-7-19(8-6-17)22-12-14-23(15-13-22)20(24)9-11-21-10-3-4-18(2)16-21/h5-8,18H,3-4,9-16H2,1-2H3/p+1/t18-/m0/s1