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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[(1R)-1-[1-(2-thienylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-[(1R)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN6S/c1-3-18(20-22-23-24-27(20)14-17-5-4-12-28-17)25-8-10-26(11-9-25)19-13-16(21)7-6-15(19)2/h4-7,12-13,18H,3,8-11,14H2,1-2H3/p+1/t18-/m1/s1