N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)NC(=O)C

InChI

InChI=1S/C19H26N4O2S/c1-13(2)18(20-14(3)24)19(25)23-10-8-22(9-11-23)12-17-21-15-6-4-5-7-16(15)26-17/h4-7,13,18H,8-12H2,1-3H3,(H,20,24)/p+1/t18-/m1/s1