1-(1-adamantylmethyl)-5-(2-morpholin-4-ylethyl)-2-oxidanylidene-3,5-dihydro-1,2-benzodiazepin-2-ium-4-one

Systemtic Name: 1-(1-adamantylmethyl)-5-(2-morpholin-4-ylethyl)-2-oxidanylidene-3,5-dihydro-1,2-benzodiazepin-2-ium-4-one Openeye Name: 1-(1-adamantylmethyl)-5-(2-morpholinoethyl)-2-oxo-3,5-dihydro-1,2-benzodiazepin-2-ium-4-one CAS Name: 1-(1-adamantylmethyl)-5-[2-(4-morpholinyl)ethyl]-2-oxo-3,5-dihydro-1,2-benzodiazepin-2-ium-4-one IUPAC Name: 1-(1-adamantylmethyl)-5-(2-morpholin-4-ylethyl)-2-oxo-3,5-dihydro-1,2-benzodiazepin-2-ium-4-one Traditional Name: 1-(1-adamantylmethyl)-2-keto-5-(2-morpholinoethyl)-3,5-dihydro-1,2-benzodiazepin-2-ium-4-one Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2C(=O)C[N+](=O)N(C3=CC=CC=C23)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1CCC2C(=O)C[N+](=O)N(C3=CC=CC=C23)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36N3O3/c30-25-17-29(31)28(18-26-14-19-11-20(15-26)13-21(12-19)16-26)24-4-2-1-3-22(24)23(25)5-6-27-7-9-32-10-8-27/h1-4,19-21,23H,5-18H2/q+1