(3R)-3-methyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide

Systemtic Name: (3R)-3-methyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide Openeye Name: (3R)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(2-thienylmethyl)pentanamide CAS Name: (3R)-3-methyl-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-(thiophen-2-ylmethyl)pentanamide IUPAC Name: (3R)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide Traditional Name: (3R)-5-keto-3-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)-N-(2-thenyl)valeramide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=CC=CS1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](CC(=O)NCC1=CC=CS1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O2S/c1-16(13-19(25)22-15-17-5-4-12-27-17)14-20(26)24-10-8-23(9-11-24)18-6-2-3-7-21-18/h2-7,12,16H,8-11,13-15H2,1H3,(H,22,25)/p+1/t16-/m1/s1