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

Systemtic Name: N-(3-methoxyphenyl)-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(4-keto-1H-quinazolin-2-yl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5O3/c1-29-16-6-4-5-15(13-16)22-21(28)26-11-9-25(10-12-26)14-19-23-18-8-3-2-7-17(18)20(27)24-19/h2-8,13H,9-12,14H2,1H3,(H,22,28)(H,23,24,27)/p+1