N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-phenyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-phenyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-phenyl-tetrazol-5-amine CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-1-phenyl-5-tetrazolamine IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-phenyltetrazol-5-amine Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-(1-phenyltetrazol-5-yl)amine Formula: C21H28N7O+ MolecularWeight: 394.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H27N7O/c1-29-20-10-8-18(9-11-20)27-16-14-26(15-17-27)13-5-12-22-21-23-24-25-28(21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,22,23,25)/p+1