3-[(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[3-[(2,4-dimethyl-6-oxo-pyran-3-carbonyl)amino]propyl]-isopropyl-ammonium CAS Name: 3-[[(2,4-dimethyl-6-oxo-3-pyranyl)-oxomethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[3-[(6-keto-2,4-dimethyl-pyran-3-carbonyl)amino]propyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)NCCC[NH+](CC2=CC=CC=C2)C(C)C)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)NCCC[NH+](CC2=CC=CC=C2)C(C)C)C

InChI

InChI=1S/C21H28N2O3/c1-15(2)23(14-18-9-6-5-7-10-18)12-8-11-22-21(25)20-16(3)13-19(24)26-17(20)4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,22,25)/p+1