(7S)-7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-7-(3,4-dimethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C3C(=N2)CC(CC3=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C3C(=N2)C[C@@H](CC3=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H28N4O3/c1-4-25-7-9-26(10-8-25)22-23-14-17-18(24-22)11-16(12-19(17)27)15-5-6-20(28-2)21(13-15)29-3/h5-6,13-14,16H,4,7-12H2,1-3H3/p+1/t16-/m0/s1