(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide

Systemtic Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide Openeye Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide CAS Name: (3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N,N-dimethyl-1-piperidinesulfonamide IUPAC Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethylpiperidine-1-sulfonamide Traditional Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide Formula: C18H31N4O3S+ MolecularWeight: 383.52874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)S(=O)(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H30N4O3S/c1-19(2)26(23,24)22-10-4-5-17(15-22)21-13-11-20(12-14-21)16-6-8-18(25-3)9-7-16/h6-9,17H,4-5,10-15H2,1-3H3/p+1/t17-/m0/s1