2-[(1R)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-o-phenetylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O2/c1-3-28-20-11-7-6-10-19(20)26-14-12-25(13-15-26)16(2)21-23-18-9-5-4-8-17(18)22(27)24-21/h4-11,16H,3,12-15H2,1-2H3,(H,23,24,27)/p+1/t16-/m1/s1