4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[2-(4-isopropylphenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(4-keto-1H-quinazolin-2-yl)methyl]-N-(2-p-cumenylethyl)piperazin-4-ium-1-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-18(2)20-9-7-19(8-10-20)11-12-26-25(32)30-15-13-29(14-16-30)17-23-27-22-6-4-3-5-21(22)24(31)28-23/h3-10,18H,11-17H2,1-2H3,(H,26,32)(H,27,28,31)/p+1