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

Systemtic Name: 3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride Openeye Name: 3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride CAS Name: 3,5,7-trimethyl-1-[3-(1-piperidin-1-iumyl)propyl]-3H-azepin-2-one chloride IUPAC Name: 3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride Traditional Name: 3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride Formula: C17H29ClN2O MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(N(C1=O)CCC[NH+]2CCCCC2)C)C.[Cl-]

Isomeric SMILES

CC1C=C(C=C(N(C1=O)CCC[NH+]2CCCCC2)C)C.[Cl-]

InChI

InChI=1S/C17H28N2O.ClH/c1-14-12-15(2)17(20)19(16(3)13-14)11-7-10-18-8-5-4-6-9-18;/h12-13,15H,4-11H2,1-3H3;1H