N-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-oxidanylidene-propyl]ethanamide

Systemtic Name: N-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-oxidanylidene-propyl]ethanamide Openeye Name: N-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-oxo-propyl]acetamide CAS Name: N-[3-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-oxopropyl]acetamide IUPAC Name: N-[3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide Traditional Name: N-[3-keto-3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]propyl]acetamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H32N4O3/c1-17(26)22-10-9-21(27)25-11-5-6-18(16-25)23-12-14-24(15-13-23)19-7-3-4-8-20(19)28-2/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1