(1S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cyclohex-3-ene-1-carboxamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCC=CC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C18H25N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,19,22)/p+1/t15-/m1/s1