1-adamantylmethyl-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 1-adamantylmethyl-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]azanium Openeye Name: 1-adamantylmethyl-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]ammonium CAS Name: 1-adamantylmethyl-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]ammonium IUPAC Name: 1-adamantylmethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium Traditional Name: 1-adamantylmethyl-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH2+]CC34CC5CC(C3)CC(C5)C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH2+]CC34CC5CC(C3)CC(C5)C4)C=C1

InChI

InChI=1S/C21H27N3O/c1-14-2-3-19-23-18(7-20(25)24(19)12-14)11-22-13-21-8-15-4-16(9-21)6-17(5-15)10-21/h2-3,7,12,15-17,22H,4-6,8-11,13H2,1H3/p+1