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

Systemtic Name: 2-[(1R)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(4-ethoxybenzyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O2/c1-3-29-19-10-8-18(9-11-19)16-26-12-14-27(15-13-26)17(2)22-24-21-7-5-4-6-20(21)23(28)25-22/h4-11,17H,3,12-16H2,1-2H3,(H,24,25,28)/p+1/t17-/m1/s1