1-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[3-methoxy-4-(1-tetrazolyl)phenyl]sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H28N7O4S+ MolecularWeight: 450.53512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)N4C=NN=N4

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)N4C=NN=N4

InChI

InChI=1S/C19H27N7O4S/c1-30-17-13-15(5-6-16(17)26-14-21-22-23-26)31(28,29)25-11-7-19(8-12-25,18(20)27)24-9-3-2-4-10-24/h5-6,13-14H,2-4,7-12H2,1H3,(H2,20,27)/p+1