(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-3-piperidyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-3-piperidyl]methanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C20H31N3O4S/c1-4-21-10-12-22(13-11-21)20(24)17-6-5-9-23(15-17)28(25,26)18-7-8-19(27-3)16(2)14-18/h7-8,14,17H,4-6,9-13,15H2,1-3H3/p+1/t17-/m0/s1