1-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C27H34N5O2S+ MolecularWeight: 492.65616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCC(CC4)(C(=O)N)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCC(CC4)(C(=O)N)N5CCCCC5

InChI

InChI=1S/C27H33N5O2S/c1-19-5-10-22-23(17-19)35-25(30-22)20-6-8-21(9-7-20)29-24(33)18-31-15-11-27(12-16-31,26(28)34)32-13-3-2-4-14-32/h5-10,17H,2-4,11-16,18H2,1H3,(H2,28,34)(H,29,33)/p+1