N-(1,3-benzodioxol-5-yl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C20H22N7O3+ MolecularWeight: 408.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N7O3/c28-20(21-15-6-7-17-18(12-15)30-14-29-17)26-10-8-25(9-11-26)13-19-22-23-24-27(19)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,21,28)/p+1