1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C19H29ClN3O+ MolecularWeight: 350.90606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H28ClN3O/c1-16-4-3-8-21(15-16)9-7-19(24)23-12-10-22(11-13-23)18-6-2-5-17(20)14-18/h2,5-6,14,16H,3-4,7-13,15H2,1H3/p+1/t16-/m0/s1