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

Systemtic Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O2S/c1-16-6-5-9-18(14-16)19-10-12-20(13-11-19)23(21,22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/p+1/t16-,18+/m0/s1