N-cyclohexyl-1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]pyridin-1-ium-3-carboxamide dichloride

Systemtic Name: N-cyclohexyl-1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]pyridin-1-ium-3-carboxamide dichloride Openeye Name: N-cyclohexyl-1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]pyridin-1-ium-3-carboxamide dichloride CAS Name: N-cyclohexyl-1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-3-pyridin-1-iumcarboxamide dichloride IUPAC Name: N-cyclohexyl-1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxopropyl]pyridin-1-ium-3-carboxamide dichloride Traditional Name: N-cyclohexyl-1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]pyridin-1-ium-3-carboxamide dichloride Formula: C21H26Cl2N4O3 MolecularWeight: 453.36214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C[N+]3=CC=CC(=C3)C=NO.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C[N+]3=CC=CC(=C3)/C=N/O.[Cl-].[Cl-]

InChI

InChI=1S/C21H24N4O3.2ClH/c26-20(15-24-10-4-6-17(13-24)12-22-28)16-25-11-5-7-18(14-25)21(27)23-19-8-2-1-3-9-19;;/h4-7,10-14,19H,1-3,8-9,15-16H2;2*1H/b22-12+;;