1-[(3S)-1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

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