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

Systemtic Name: 1-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine Openeye Name: 1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine CAS Name: 1-[3-methoxy-4-(1-tetrazolyl)phenyl]sulfonyl-4-(1-piperidin-1-iumyl)piperidine IUPAC Name: 1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-ylpiperidine Traditional Name: 1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine Formula: C18H27N6O3S+ MolecularWeight: 407.51038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3S/c1-27-18-13-16(5-6-17(18)24-14-19-20-21-24)28(25,26)23-11-7-15(8-12-23)22-9-3-2-4-10-22/h5-6,13-15H,2-4,7-12H2,1H3/p+1