N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C26H29N6O2S+ MolecularWeight: 489.61246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C26H28N6O2S/c1-18(2)23(25(34)31-15-13-30(14-16-31)22-7-3-4-10-27-22)29-24(33)19-8-9-20-21(17-19)35-26(28-20)32-11-5-6-12-32/h3-12,17-18,23H,13-16H2,1-2H3,(H,29,33)/p+1/t23-/m0/s1