N-(phenylmethyl)-2-[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(3S)-1-(2-thenoyl)nipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S/c29-22(25-16-19-6-2-1-3-7-19)18-26-11-13-27(14-12-26)23(30)20-8-4-10-28(17-20)24(31)21-9-5-15-32-21/h1-3,5-7,9,15,20H,4,8,10-14,16-18H2,(H,25,29)/p+1/t20-/m0/s1