N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2,4-dimethyl-6-oxidanylidene-pyran-3-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2,4-dimethyl-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2,4-dimethyl-6-oxo-pyran-3-carboxamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide Traditional Name: 6-keto-N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2,4-dimethyl-pyran-3-carboxamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)NCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)NCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H27N3O4/c1-15-14-19(25)28-16(2)20(15)21(26)22-8-9-23-10-12-24(13-11-23)17-4-6-18(27-3)7-5-17/h4-7,14H,8-13H2,1-3H3,(H,22,26)/p+1