1-[(2-methylphenyl)methyl]-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(o-tolylmethyl)-4-[[5-(2-thienyl)tetrazol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-[(5-thiophen-2-yl-2-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(2-methylbenzyl)-4-[[5-(2-thienyl)tetrazol-2-yl]methyl]piperazin-4-ium Formula: C18H23N6S+ MolecularWeight: 355.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CN3N=C(N=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CN3N=C(N=N3)C4=CC=CS4

InChI

InChI=1S/C18H22N6S/c1-15-5-2-3-6-16(15)13-22-8-10-23(11-9-22)14-24-20-18(19-21-24)17-7-4-12-25-17/h2-7,12H,8-11,13-14H2,1H3/p+1