2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-ethyl-1-piperidyl]ethanone CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(2S)-2-ethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidino]ethanone Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-2-17-7-3-4-9-23(17)19(24)15-21-10-12-22(13-11-21)27(25,26)18-8-5-6-16(20)14-18/h5-6,8,14,17H,2-4,7,9-13,15H2,1H3/p+1/t17-/m0/s1