1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone

Systemtic Name: 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone Openeye Name: 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(1-methylpyrrol-3-yl)ethanone CAS Name: 1-[(3R)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-methyl-3-pyrrolyl)ethanone IUPAC Name: 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone Traditional Name: 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-(1-methylpyrrol-3-yl)ethanone Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=CC(=C1)CC(=O)N2CCC[C@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H32N4O2/c1-24-11-9-19(17-24)16-23(28)27-10-5-6-20(18-27)25-12-14-26(15-13-25)21-7-3-4-8-22(21)29-2/h3-4,7-9,11,17,20H,5-6,10,12-16,18H2,1-2H3/p+1/t20-/m1/s1