2,4-dimethyl-6-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,4-dimethyl-6-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,4-dimethyl-6-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,4-dimethyl-6-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,4-dimethyl-6-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,4-dimethyl-6-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)O)C

InChI

InChI=1S/C23H30N2O3S/c1-17-13-18(2)23(26)21(14-17)16-24-9-11-25(12-10-24)29(27,28)22-8-7-19-5-3-4-6-20(19)15-22/h7-8,13-15,26H,3-6,9-12,16H2,1-2H3/p+1