methyl-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]ammonium CAS Name: methyl-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[[5-keto-4-(2-thienyl)tetrazol-1-yl]methyl]-methyl-ammonium Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C17H21N5OS/c1-13(2)15-8-6-14(7-9-15)11-20(3)12-21-17(23)22(19-18-21)16-5-4-10-24-16/h4-10,13H,11-12H2,1-3H3/p+1