3-[(4-methoxyphenyl)-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]amino]propanamide

Systemtic Name: 3-[(4-methoxyphenyl)-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]amino]propanamide Openeye Name: 3-(4-methoxy-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]anilino)propanamide CAS Name: 3-(4-methoxy-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]anilino)propanamide IUPAC Name: 3-(4-methoxy-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]anilino)propanamide Traditional Name: 3-(N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-methoxy-anilino)propionamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N5O3/c1-29-18-7-5-17(6-8-18)26(11-9-19(22)27)16-21(28)25-14-12-24(13-15-25)20-4-2-3-10-23-20/h2-8,10H,9,11-16H2,1H3,(H2,22,27)/p+1