N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-m-anisyl-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-28-18-6-4-5-17(15-18)16-23-20(26)8-9-21(27)25-13-11-24(12-14-25)19-7-2-3-10-22-19/h2-7,10,15H,8-9,11-14,16H2,1H3,(H,23,26)/p+1