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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-5-tetrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H23N6O3+ MolecularWeight: 407.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H22N6O3/c28-21(22-16-6-7-18-19(12-16)30-14-29-18)15-8-10-26(11-9-15)13-20-23-24-25-27(20)17-4-2-1-3-5-17/h1-7,12,15H,8-11,13-14H2,(H,22,28)/p+1