1-[(3S)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(2,4-dimethylphenyl)sulfonyl-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(2,4-dimethylphenyl)sulfonyl-3-piperidinyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(2,4-dimethylphenyl)sulfonyl-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H33N3O3S/c1-19-6-11-24(20(2)17-19)31(28,29)27-12-4-5-22(18-27)26-15-13-25(14-16-26)21-7-9-23(30-3)10-8-21/h6-11,17,22H,4-5,12-16,18H2,1-3H3/p+1/t22-/m0/s1