[(3S)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-(4-ethoxyphenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(4-ethoxyphenyl)sulfonyl-3-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-p-phenetylsulfonyl-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)OCC

Isomeric SMILES

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

InChI

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