1-(4-butylphenyl)-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(4-butylphenyl)-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-butylphenyl)-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(4-butylphenyl)-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-5-tetrazolethione IUPAC Name: 1-(4-butylphenyl)-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(4-butylphenyl)-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]tetrazole-5-thione Formula: C18H29N6S+ MolecularWeight: 361.52806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCC[NH+](CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCC[NH+](CC3)C

InChI

InChI=1S/C18H28N6S/c1-3-4-6-16-7-9-17(10-8-16)24-18(25)23(19-20-24)15-22-12-5-11-21(2)13-14-22/h7-10H,3-6,11-15H2,1-2H3/p+1