N-(4-morpholin-4-ylphenyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(4-morpholinophenyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-(4-morpholinophenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C23H30N5O3+ MolecularWeight: 424.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H29N5O3/c29-22(25-19-4-6-20(7-5-19)26-15-17-31-18-16-26)8-9-23(30)28-13-11-27(12-14-28)21-3-1-2-10-24-21/h1-7,10H,8-9,11-18H2,(H,25,29)/p+1