3-piperazin-4-ium-1-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one chloride

Systemtic Name: 3-piperazin-4-ium-1-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one chloride Openeye Name: 3-piperazin-4-ium-1-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one chloride CAS Name: 3-(1-piperazin-4-iumyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one chloride IUPAC Name: 3-piperazin-4-ium-1-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one chloride Traditional Name: 3-piperazin-4-ium-1-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one chloride Formula: C14H20ClN3O MolecularWeight: 281.7811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1N3CC[NH2+]CC3.[Cl-]

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1N3CC[NH2+]CC3.[Cl-]

InChI

InChI=1S/C14H19N3O.ClH/c18-14-13(17-9-7-15-8-10-17)6-5-11-3-1-2-4-12(11)16-14;/h1-4,13,15H,5-10H2,(H,16,18);1H