2-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-2-(1,3-benzodioxol-5-yl)-4-keto-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-3-23(4-2)11-12-24-20(15-9-10-18-19(13-15)27-14-26-18)22-17-8-6-5-7-16(17)21(24)25/h5-10,13,20,22H,3-4,11-12,14H2,1-2H3/p+1/t20-/m0/s1