2-[1-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[1-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-piperidin-1-ium-4-yl]ethanamide Openeye Name: 2-[1-acetyl-1-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]piperidin-1-ium-4-yl]acetamide CAS Name: 2-[1-acetyl-1-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-4-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-acetyl-1-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]piperidin-1-ium-4-yl]acetamide Traditional Name: 2-[1-acetyl-1-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]piperidin-1-ium-4-yl]acetamide Formula: C22H31N6O3S+ MolecularWeight: 459.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCC(CC1)CC(=O)N)C(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)[N+]1(CCC(CC1)CC(=O)N)C(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H30N6O3S/c1-15(29)28(11-8-16(9-12-28)13-20(23)30)18(6-4-10-25-14-26-24)21(31)22-27-17-5-2-3-7-19(17)32-22/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3,(H4-,23,24,25,26,27,30,31)/p+1