(2S)-N-(cyclohexylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(cyclohexylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(cyclohexylmethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(cyclohexylmethyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(cyclohexylmethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(cyclohexylmethyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H29N3O2S/c1-15(18(23)20-14-16-6-3-2-4-7-16)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H,20,23)/p+1/t15-/m0/s1