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

Systemtic Name: 1-(3-chlorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(1R)-1-(1-p-anisyltetrazol-5-yl)propyl]piperazin-4-ium Formula: C22H28ClN6O+ MolecularWeight: 427.95032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6O/c1-3-21(28-13-11-27(12-14-28)19-6-4-5-18(23)15-19)22-24-25-26-29(22)16-17-7-9-20(30-2)10-8-17/h4-10,15,21H,3,11-14,16H2,1-2H3/p+1/t21-/m1/s1