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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-p-anisyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H23N3OS/c1-17-8-3-9-18(11-10-17)15(20)16-12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,16,20)/p+1