3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(8-methyl-4-oxo-quinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]propionamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H25N5O2/c1-16-5-4-6-18-21(16)25-15-27(22(18)29)12-9-20(28)24-14-17-7-8-19(23-13-17)26-10-2-3-11-26/h4-8,13,15H,2-3,9-12,14H2,1H3,(H,24,28)/p+1