(3-methylphenyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (3-methylphenyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: m-tolyl-[4-(thiazol-4-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (3-methylphenyl)-[4-(4-thiazolylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (3-methylphenyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: m-tolyl-[4-(thiazol-4-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CSC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CSC=N3

InChI

InChI=1S/C17H21N3OS/c1-14-4-2-5-15(10-14)17(21)20-7-3-6-19(8-9-20)11-16-12-22-13-18-16/h2,4-5,10,12-13H,3,6-9,11H2,1H3/p+1