1-(5-chloranyl-2-methyl-phenyl)-4-[(1R)-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[(1R)-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-4-(5-chloro-2-methyl-phenyl)piperazin-1-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-(phenylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-4-(5-chloro-2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-4-(5-chloro-2-methyl-phenyl)piperazin-1-ium Formula: C22H28ClN6+ MolecularWeight: 411.95092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6/c1-3-20(22-24-25-26-29(22)16-18-7-5-4-6-8-18)27-11-13-28(14-12-27)21-15-19(23)10-9-17(21)2/h4-10,15,20H,3,11-14,16H2,1-2H3/p+1/t20-/m1/s1