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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1-phenyl-5-tetrazolyl)piperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2/c1-27-18-8-9-19(28-2)16(14-18)15-24-10-12-25(13-11-24)20-21-22-23-26(20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1