(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H20ClN2OS+ MolecularWeight: 323.8608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCC[NH+](CC3)C)Cl

InChI

InChI=1S/C16H19ClN2OS/c1-11-4-5-12-13(10-11)21-15(14(12)17)16(20)19-7-3-6-18(2)8-9-19/h4-5,10H,3,6-9H2,1-2H3/p+1