N-[4-[[(3R)-3-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3R)-3-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3R)-3-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3R)-3-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3R)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3R)-3-[3-keto-3-(4-methylpiperazino)propyl]piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H34N4O2/c1-18(27)23-21-8-5-20(6-9-21)17-25-11-3-4-19(16-25)7-10-22(28)26-14-12-24(2)13-15-26/h5-6,8-9,19H,3-4,7,10-17H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1