1-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazol-5-one CAS Name: 1-phenyl-4-(1-pyrrolidin-1-iumylmethyl)-5-tetrazolone IUPAC Name: 1-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazol-5-one Traditional Name: 1-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazol-5-one Formula: C12H16N5O+ MolecularWeight: 246.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=O)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CN2C(=O)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C12H15N5O/c18-12-16(10-15-8-4-5-9-15)13-14-17(12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2/p+1