[4-methyl-4-(1-methylcyclopropyl)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(3-pyrrolidin-1-ylpropyl)azanium

Systemtic Name: [4-methyl-4-(1-methylcyclopropyl)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(3-pyrrolidin-1-ylpropyl)azanium Openeye Name: [1-carboxy-3-methyl-3-(1-methylcyclopropyl)butyl]-(2-oxo-1H-quinazolin-4-ylidene)-(3-pyrrolidin-1-ylpropyl)ammonium CAS Name: [1-hydroxy-4-methyl-4-(1-methylcyclopropyl)-1-oxopentan-2-yl]-(2-oxo-1H-quinazolin-4-ylidene)-[3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: [1-hydroxy-4-methyl-4-(1-methylcyclopropyl)-1-oxopentan-2-yl]-(2-oxo-1H-quinazolin-4-ylidene)-(3-pyrrolidin-1-ylpropyl)azanium Traditional Name: [1-carboxy-3-methyl-3-(1-methylcyclopropyl)butyl]-(2-keto-1H-quinazolin-4-ylidene)-(3-pyrrolidinopropyl)ammonium Formula: C25H37N4O3+ MolecularWeight: 441.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(C)(C)CC(C(=O)O)[N+](=C2C3=CC=CC=C3NC(=O)N2)CCCN4CCCC4

Isomeric SMILES

CC1(CC1)C(C)(C)CC(C(=O)O)[N+](=C2C3=CC=CC=C3NC(=O)N2)CCCN4CCCC4

InChI

InChI=1S/C25H36N4O3/c1-24(2,25(3)11-12-25)17-20(22(30)31)29(16-8-15-28-13-6-7-14-28)21-18-9-4-5-10-19(18)26-23(32)27-21/h4-5,9-10,20H,6-8,11-17H2,1-3H3,(H2,26,27,30,31,32)/p+1