1-butyl-7,7-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one

Systemtic Name: 1-butyl-7,7-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Openeye Name: 1-butyl-7,7-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one CAS Name: 1-butyl-7,7-dimethyl-3-[3-(4-morpholin-4-iumyl)propyl]-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one IUPAC Name: 1-butyl-7,7-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Traditional Name: 1-butyl-7,7-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Formula: C21H39N3O2+2 MolecularWeight: 365.55326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C[NH+](CC2=C1CC(CC2=O)(C)C)CCC[NH+]3CCOCC3

Isomeric SMILES

CCCCN1C[NH+](CC2=C1CC(CC2=O)(C)C)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H37N3O2/c1-4-5-9-24-17-23(8-6-7-22-10-12-26-13-11-22)16-18-19(24)14-21(2,3)15-20(18)25/h4-17H2,1-3H3/p+2