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

Systemtic Name: ethyl (3S)-1-[(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-oxo-4-phenyl-tetrazol-1-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-oxo-4-phenyl-1-tetrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-oxo-4-phenyltetrazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-keto-4-phenyl-tetrazol-1-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=O)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=O)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5O3/c1-2-24-15(22)13-7-6-10-19(11-13)12-20-16(23)21(18-17-20)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3/p+1/t13-/m0/s1