N-[(2R)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[(2R)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-16(2)19(22-20(25)18-9-6-14-27-18)21(26)24-12-10-23(11-13-24)15-17-7-4-3-5-8-17/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1