(3S)-1-(4-methylphenyl)-N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methylphenyl)-N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)-N-[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-methylphenyl)-N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C25H27N5O3/c1-17-6-8-19(9-7-17)30-15-18(14-23(30)31)25(32)28-24-20-4-2-3-5-21(20)26-22(27-24)16-29-10-12-33-13-11-29/h2-9,18H,10-16H2,1H3,(H,26,27,28,32)/p+1/t18-/m0/s1