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

Systemtic Name: 4-oxidanylidene-N-(4-propoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: 4-oxo-N-(4-propoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: 4-oxo-N-(4-propoxyphenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: 4-oxo-N-(4-propoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-(4-propoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H28N4O3/c1-2-17-29-19-8-6-18(7-9-19)24-21(27)10-11-22(28)26-15-13-25(14-16-26)20-5-3-4-12-23-20/h3-9,12H,2,10-11,13-17H2,1H3,(H,24,27)/p+1