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

Systemtic Name: 1-(3-chlorophenyl)-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-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-(3-chlorophenyl)-4-[(1R)-1-[1-(phenylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-4-(3-chlorophenyl)piperazin-1-ium Formula: C21H26ClN6+ MolecularWeight: 397.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6/c1-2-20(21-23-24-25-28(21)16-17-7-4-3-5-8-17)27-13-11-26(12-14-27)19-10-6-9-18(22)15-19/h3-10,15,20H,2,11-14,16H2,1H3/p+1/t20-/m1/s1