(7S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CC[NH+](CC4)CCO

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC3=NC(=NC=C3C(=O)C2)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C21H26N4O3/c1-28-17-4-2-15(3-5-17)16-12-19-18(20(27)13-16)14-22-21(23-19)25-8-6-24(7-9-25)10-11-26/h2-5,14,16,26H,6-13H2,1H3/p+1/t16-/m0/s1