1-(4-methoxyphenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H28N2O3S/c1-15-4-3-5-16(14-15)19-10-12-20(13-11-19)24(21,22)18-8-6-17(23-2)7-9-18/h6-9,15-16H,3-5,10-14H2,1-2H3/p+1/t15-,16+/m1/s1