N-[(2S)-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C27H30N5O2S+ MolecularWeight: 488.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-19(25(33)29-22-11-15-31(16-12-22)18-20-7-3-2-4-8-20)28-26(34)21-9-10-23-24(17-21)35-27(30-23)32-13-5-6-14-32/h2-10,13-14,17,19,22H,11-12,15-16,18H2,1H3,(H,28,34)(H,29,33)/p+1/t19-/m0/s1