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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C21H26N7O3+ MolecularWeight: 424.47624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C21H25N7O3/c1-30-17-8-9-18(19(14-17)31-2)22-21(29)27-12-10-26(11-13-27)15-20-23-24-25-28(20)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,29)/p+1