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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(1R)-1-(1-phenethyl-5-tetrazolyl)propyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-4-ium Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H30N6O/c1-3-22(23-24-25-26-29(23)14-13-19-7-5-4-6-8-19)28-17-15-27(16-18-28)20-9-11-21(30-2)12-10-20/h4-12,22H,3,13-18H2,1-2H3/p+1/t22-/m1/s1