4-chloranyl-N-[4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-4-oxidanylidene-butyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-4-oxidanylidene-butyl]benzamide Openeye Name: 4-chloro-N-[4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-4-oxo-butyl]benzamide CAS Name: 4-chloro-N-[4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-4-oxobutyl]benzamide IUPAC Name: 4-chloro-N-[4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-4-oxobutyl]benzamide Traditional Name: 4-chloro-N-[4-keto-4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]butyl]benzamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c22-18-6-4-17(5-7-18)21(28)23-9-1-2-20(27)25-15-16-3-8-19(24-14-16)26-10-12-29-13-11-26/h3-8,14H,1-2,9-13,15H2,(H,23,28)(H,25,27)/p+1