1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-(benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepan-1-ium-5-one Formula: C15H19N2OS+ MolecularWeight: 275.38916

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC3=CC=CC=C3S2

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C15H18N2OS/c1-16-8-9-17(7-6-15(16)18)11-13-10-12-4-2-3-5-14(12)19-13/h2-5,10H,6-9,11H2,1H3/p+1