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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC[C@H](C1=NN=NN1CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

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