N,N-diethyl-2-[4-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methoxy]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methoxy]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[2-[(4-oxo-1H-quinazolin-2-yl)methoxy]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methoxy]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[2-[(4-oxo-1H-quinazolin-2-yl)methoxy]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[2-[(4-keto-1H-quinazolin-2-yl)methoxy]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)COCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)COCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H29N5O4/c1-3-25(4-2)19(27)13-24-9-11-26(12-10-24)20(28)15-30-14-18-22-17-8-6-5-7-16(17)21(29)23-18/h5-8H,3-4,9-15H2,1-2H3,(H,22,23,29)/p+1