N-[(1R)-1-cyclopropylethyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H29N3O5S/c1-14(15-4-5-15)20-19(23)13-21-8-10-22(11-9-21)28(24,25)16-6-7-17(26-2)18(12-16)27-3/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3,(H,20,23)/p+1/t14-/m1/s1