1-[(1R,3S)-3-methylcyclohexyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H28N2O2S/c1-17-5-4-8-20(15-17)22-11-13-23(14-12-22)26(24,25)21-10-9-18-6-2-3-7-19(18)16-21/h2-3,6-7,9-10,16-17,20H,4-5,8,11-15H2,1H3/p+1/t17-,20+/m0/s1