1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C14H16ClN2OS+ MolecularWeight: 295.80764

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCNC1=O)CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1C[NH+](CCNC1=O)CC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H15ClN2OS/c15-14-10-3-1-2-4-11(10)19-12(14)9-17-7-5-13(18)16-6-8-17/h1-4H,5-9H2,(H,16,18)/p+1