4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbothioamide IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]thiobenzamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C14H21N3S/c1-16-7-2-8-17(10-9-16)11-12-3-5-13(6-4-12)14(15)18/h3-6H,2,7-11H2,1H3,(H2,15,18)/p+1