2-bromanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: 2-bromanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-5-(tetrazol-1-yl)benzamide CAS Name: 2-bromo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-(1-tetrazolyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-5-(tetrazol-1-yl)benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-5-(tetrazol-1-yl)benzamide Formula: C20H22BrN6O+ MolecularWeight: 442.33228

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)N3C=NN=N3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)N3C=NN=N3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN6O/c21-19-7-6-17(27-14-22-24-25-27)12-18(19)20(28)23-16-8-10-26(11-9-16)13-15-4-2-1-3-5-15/h1-7,12,14,16H,8-11,13H2,(H,23,28)/p+1