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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C15H18ClN2OS+ MolecularWeight: 309.83422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H17ClN2OS/c1-17-7-4-8-18(10-9-17)15(19)14-13(16)11-5-2-3-6-12(11)20-14/h2-3,5-6H,4,7-10H2,1H3/p+1