N-(3-methoxyphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C14H21N3OS/c1-16-7-4-8-17(10-9-16)14(19)15-12-5-3-6-13(11-12)18-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,15,19)/p+1