(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide

Systemtic Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide Openeye Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide CAS Name: (3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N,N-dimethyl-1-piperidinesulfonamide IUPAC Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethylpiperidine-1-sulfonamide Traditional Name: (3S)-3-[4-(2-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=CC=C3OC

Isomeric SMILES

CN(C)S(=O)(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H30N4O3S/c1-19(2)26(23,24)22-10-6-7-16(15-22)20-11-13-21(14-12-20)17-8-4-5-9-18(17)25-3/h4-5,8-9,16H,6-7,10-15H2,1-3H3/p+1/t16-/m0/s1