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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(1-phenethyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NN=NN3CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NN=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O/c1-28-20-9-7-19(8-10-20)26-15-13-25(14-16-26)17-21-22-23-24-27(21)12-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3/p+1