N-[4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]phenyl]acetamide Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c1-20(29)25-22-11-9-21(10-12-22)18-26-13-5-8-24(19-26)28-16-14-27(15-17-28)23-6-3-2-4-7-23/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,25,29)/p+1/t24-/m0/s1