N-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-methoxy-4-(1-tetrazolyl)phenyl]-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Formula: C20H31N7O2+2 MolecularWeight: 401.50584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3)N4C=NN=N4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3)N4C=NN=N4

InChI

InChI=1S/C20H29N7O2/c1-29-19-13-16(5-6-18(19)27-15-21-23-24-27)22-20(28)14-25-11-7-17(8-12-25)26-9-3-2-4-10-26/h5-6,13,15,17H,2-4,7-12,14H2,1H3,(H,22,28)/p+2