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

Systemtic Name: 1-(3-chlorophenyl)-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(1R)-2-methyl-1-[1-(2-thienylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(1R)-2-methyl-1-[1-(2-thenyl)tetrazol-5-yl]propyl]piperazin-4-ium Formula: C20H26ClN6S+ MolecularWeight: 417.97864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)[C@H](C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H25ClN6S/c1-15(2)19(20-22-23-24-27(20)14-18-7-4-12-28-18)26-10-8-25(9-11-26)17-6-3-5-16(21)13-17/h3-7,12-13,15,19H,8-11,14H2,1-2H3/p+1/t19-/m1/s1