N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate

Systemtic Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C20H28N6O MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN=C(C2=CC=CC(=C2)C3=NNN=N3)[O-])[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CN=C(C2=CC=CC(=C2)C3=NNN=N3)[O-])[NH+]4CCCCC4

InChI

InChI=1S/C20H28N6O/c27-19(17-9-7-8-16(14-17)18-22-24-25-23-18)21-15-20(10-3-1-4-11-20)26-12-5-2-6-13-26/h7-9,14H,1-6,10-13,15H2,(H,21,27)(H,22,23,24,25)