1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-3-methyl-but-2-en-1-one Formula: C20H29ClN3O+ MolecularWeight: 362.91676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O/c1-16(2)13-20(25)24-8-4-7-19(15-24)23-11-9-22(10-12-23)18-6-3-5-17(21)14-18/h3,5-6,13-14,19H,4,7-12,15H2,1-2H3/p+1/t19-/m0/s1