N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidin-1-ium-1-yl]acetamide Formula: C23H26N7O2S+ MolecularWeight: 464.56324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C4=NC(=NN4)C5=CC=NC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C4=NC(=NN4)C5=CC=NC=C5

InChI

InChI=1S/C23H25N7O2S/c1-2-32-17-3-4-18-19(13-17)33-23(25-18)26-20(31)14-30-11-7-16(8-12-30)22-27-21(28-29-22)15-5-9-24-10-6-15/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,25,26,31)(H,27,28,29)/p+1