N-(3-methoxyphenyl)-4-[(1R)-1-(3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-4-[(1R)-1-(3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-[(1R)-1-(3-methyl-4-oxo-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[(1R)-1-(3-methyl-4-oxo-2-quinazolinyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-1-(4-keto-3-methyl-quinazolin-2-yl)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1C)[NH+]3CCN(CC3)C(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2C(=O)N1C)[NH+]3CCN(CC3)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H27N5O3/c1-16(21-25-20-10-5-4-9-19(20)22(29)26(21)2)27-11-13-28(14-12-27)23(30)24-17-7-6-8-18(15-17)31-3/h4-10,15-16H,11-14H2,1-3H3,(H,24,30)/p+1/t16-/m1/s1