7-chloranyl-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride

Systemtic Name: 7-chloranyl-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride Openeye Name: 7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride CAS Name: 7-chloro-3-[2-(1-piperidin-1-iumyl)ethyl]-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride IUPAC Name: 7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride Traditional Name: 7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride Formula: C15H23Cl3N2O MolecularWeight: 353.71492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[NH+]2CC3=C(CO2)C=C(C=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC[NH+]2CC3=C(CO2)C=C(C=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C15H21ClN2O.2ClH/c16-15-5-4-13-11-18(19-12-14(13)10-15)9-8-17-6-2-1-3-7-17;;/h4-5,10H,1-3,6-9,11-12H2;2*1H