2-[[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CS3)C(=O)N)C

InChI

InChI=1S/C20H26N4O2S/c1-13-5-4-6-17(14(13)2)24-10-8-23(9-11-24)15(3)19(26)22-20-16(18(21)25)7-12-27-20/h4-7,12,15H,8-11H2,1-3H3,(H2,21,25)(H,22,26)/p+1/t15-/m1/s1