(4S)-4-chloranyl-6-methoxy-7-(3-piperidin-1-ium-1-ylpropoxy)-1,4-dihydroquinazoline

Systemtic Name: (4S)-4-chloranyl-6-methoxy-7-(3-piperidin-1-ium-1-ylpropoxy)-1,4-dihydroquinazoline Openeye Name: (4S)-4-chloro-6-methoxy-7-(3-piperidin-1-ium-1-ylpropoxy)-1,4-dihydroquinazoline CAS Name: (4S)-4-chloro-6-methoxy-7-[3-(1-piperidin-1-iumyl)propoxy]-1,4-dihydroquinazoline IUPAC Name: (4S)-4-chloro-6-methoxy-7-(3-piperidin-1-ium-1-ylpropoxy)-1,4-dihydroquinazoline Traditional Name: (4S)-4-chloro-6-methoxy-7-(3-piperidin-1-ium-1-ylpropoxy)-1,4-dihydroquinazoline Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N=CN2)Cl)OCCC[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H](N=CN2)Cl)OCCC[NH+]3CCCCC3

InChI

InChI=1S/C17H24ClN3O2/c1-22-15-10-13-14(19-12-20-17(13)18)11-16(15)23-9-5-8-21-6-3-2-4-7-21/h10-12,17H,2-9H2,1H3,(H,19,20)/p+1/t17-/m1/s1