N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]pyridin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-1-[(2-piperazin-1-ylthiazol-4-yl)methyl]pyridin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-[[2-(1-piperazinyl)-4-thiazolyl]methyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]pyridin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-1-[(2-piperazinothiazol-4-yl)methyl]pyridin-1-ium-4-carboxamide Formula: C22H30N7O2S+ MolecularWeight: 456.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=[N+](C=C1)CC2=CSC(=N2)N3CCNCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC=[N+](C=C1)CC2=CSC(=N2)N3CCNCC3

InChI

InChI=1S/C22H29N7O2S/c1-16(2)13-19(21(31)25-6-5-23)27-20(30)17-3-9-28(10-4-17)14-18-15-32-22(26-18)29-11-7-24-8-12-29/h3-4,9-10,15-16,19,24H,6-8,11-14H2,1-2H3,(H-,25,27,30,31)/p+1/t19-/m0/s1