N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(2-methyl-4-oxo-3-quinazolinyl)benzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide Traditional Name: 4-(4-keto-2-methyl-quinazolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C29H31N4O4+ MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NCC(C4=CC=C(C=C4)OC)[NH+]5CCOCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC[C@H](C4=CC=C(C=C4)OC)[NH+]5CCOCC5

InChI

InChI=1S/C29H30N4O4/c1-20-31-26-6-4-3-5-25(26)29(35)33(20)23-11-7-22(8-12-23)28(34)30-19-27(32-15-17-37-18-16-32)21-9-13-24(36-2)14-10-21/h3-14,27H,15-19H2,1-2H3,(H,30,34)/p+1/t27-/m1/s1