N-propan-2-yl-2-[4-(2-pyridin-4-ylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-(2-pyridin-4-ylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[2-(4-pyridyl)quinazolin-4-yl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-propan-2-yl-2-[4-(2-pyridin-4-yl-4-quinazolinyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-propan-2-yl-2-[4-(2-pyridin-4-ylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[2-(4-pyridyl)quinazolin-4-yl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C23H28N6O/c1-17(2)25-21(30)16-28-12-5-13-29(15-14-28)23-19-6-3-4-7-20(19)26-22(27-23)18-8-10-24-11-9-18/h3-4,6-11,17H,5,12-16H2,1-2H3,(H,25,30)/p+1