(4-methyl-1,4-diazepan-4-ium-1-yl)-(2-phenylazanyl-1,3-thiazol-4-yl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2-phenylazanyl-1,3-thiazol-4-yl)methanone Openeye Name: (2-anilinothiazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-anilino-4-thiazolyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-anilino-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-anilinothiazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CSC(=N2)NC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CSC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-19-8-5-9-20(11-10-19)15(21)14-12-22-16(18-14)17-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,18)/p+1