1-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1-piperidyl]-4-phenyl-butan-1-one CAS Name: 1-[(3R)-3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-piperidinyl]-4-phenyl-1-butanone IUPAC Name: 1-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]piperidin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[(3R)-3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]piperidino]-4-phenyl-butan-1-one Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O2/c1-24-15-17-25(18-16-24)23(28)13-12-21-10-6-14-26(19-21)22(27)11-5-9-20-7-3-2-4-8-20/h2-4,7-8,21H,5-6,9-19H2,1H3/p+1/t21-/m1/s1