N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC(=O)N2CCCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)N2CCCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H32N4O3S/c1-16(2)19(22-20(27)17-7-6-14-29-17)21(28)25-12-10-23(11-13-25)15-18(26)24-8-4-3-5-9-24/h6-7,14,16,19H,3-5,8-13,15H2,1-2H3,(H,22,27)/p+1/t19-/m0/s1