1-[2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]phenyl]ethanone CAS Name: 1-[2-[oxo-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]phenyl]ethanone IUPAC Name: 1-[2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]phenyl]ethanone Formula: C24H30N3O2+ MolecularWeight: 392.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-19(28)22-11-5-6-12-23(22)24(29)27-13-7-10-21(18-27)26-16-14-25(15-17-26)20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-18H2,1H3/p+1/t21-/m0/s1