3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride

Systemtic Name: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride Openeye Name: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride CAS Name: 3,5,7-trimethyl-1-[2-(1-pyrrolidin-1-iumyl)propyl]-3H-azepin-2-one chloride IUPAC Name: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride Traditional Name: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride Formula: C16H27ClN2O MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(N(C1=O)CC(C)[NH+]2CCCC2)C)C.[Cl-]

Isomeric SMILES

CC1C=C(C=C(N(C1=O)CC(C)[NH+]2CCCC2)C)C.[Cl-]

InChI

InChI=1S/C16H26N2O.ClH/c1-12-9-13(2)16(19)18(14(3)10-12)11-15(4)17-7-5-6-8-17;/h9-10,13,15H,5-8,11H2,1-4H3;1H