1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C21H32N5O3S+ MolecularWeight: 434.57548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H31N5O3S/c1-16-21(17(2)23-22-16)30(27,28)26-10-6-7-18(15-26)24-11-13-25(14-12-24)19-8-4-5-9-20(19)29-3/h4-5,8-9,18H,6-7,10-15H2,1-3H3,(H,22,23)/p+1/t18-/m0/s1