1-cycloheptyl-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-cycloheptyl-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-cycloheptyl-piperazin-4-ium CAS Name: 1-cycloheptyl-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-cycloheptylpiperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-cycloheptyl-piperazin-4-ium Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O2S/c21-23(22,16-17-8-4-3-5-9-17)20-14-12-19(13-15-20)18-10-6-1-2-7-11-18/h3-5,8-9,18H,1-2,6-7,10-16H2/p+1