2-methoxyethyl-[(1R)-1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]azanium

Systemtic Name: 2-methoxyethyl-[(1R)-1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]azanium Openeye Name: 2-methoxyethyl-[(1R)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]propyl]ammonium CAS Name: 2-methoxyethyl-[(1R)-1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]propyl]ammonium IUPAC Name: 2-methoxyethyl-[(1R)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]azanium Traditional Name: [(1R)-1-[4-keto-3-(m-tolyl)quinazolin-2-yl]propyl]-(2-methoxyethyl)ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C)[NH2+]CCOC

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C)[NH2+]CCOC

InChI

InChI=1S/C21H25N3O2/c1-4-18(22-12-13-26-3)20-23-19-11-6-5-10-17(19)21(25)24(20)16-9-7-8-15(2)14-16/h5-11,14,18,22H,4,12-13H2,1-3H3/p+1/t18-/m1/s1