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

Systemtic Name: N-(1-adamantylmethyl)-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantylmethyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N5O2/c31-23-20-3-1-2-4-21(20)27-22(28-23)15-29-5-7-30(8-6-29)24(32)26-16-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-4,17-19H,5-16H2,(H,26,32)(H,27,28,31)/p+1