(3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanoate

Systemtic Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanoate Openeye Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanoate CAS Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]butanoate IUPAC Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanoate Traditional Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butyrate Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)CC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)CC(=O)[O-])C

InChI

InChI=1S/C16H24N2O4S/c1-12-4-5-15(10-13(12)2)23(21,22)18-8-6-17(7-9-18)14(3)11-16(19)20/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,20)/t14-/m1/s1