N-cyclopropyl-2-[4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-(tetrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[4-(1-tetrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-(tetrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-(tetrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H22N7O2+ MolecularWeight: 356.40228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C17H21N7O2/c25-16(19-14-3-4-14)11-22-7-9-23(10-8-22)17(26)13-1-5-15(6-2-13)24-12-18-20-21-24/h1-2,5-6,12,14H,3-4,7-11H2,(H,19,25)/p+1