ethyl 1-[[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3-methoxyphenyl)-2-tetrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2N=C(N=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2N=C(N=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H23N5O3/c1-3-25-17(23)13-7-9-21(10-8-13)12-22-19-16(18-20-22)14-5-4-6-15(11-14)24-2/h4-6,11,13H,3,7-10,12H2,1-2H3/p+1