[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-butyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCCCCCC3

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H32N4O2/c1-2-3-13-25(17-21(27)26-14-9-5-4-6-10-15-26)16-20-23-19-12-8-7-11-18(19)22(28)24-20/h7-8,11-12H,2-6,9-10,13-17H2,1H3,(H,23,24,28)/p+1