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

Systemtic Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(4-chlorophenyl)-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O/c1-16-3-2-9-21(15-16)10-8-19(24)23-13-11-22(12-14-23)18-6-4-17(20)5-7-18/h4-7,16H,2-3,8-15H2,1H3/p+1/t16-/m0/s1