3-(cyclohexylmethyl)-1-methyl-quinazolin-3-ium-2-one

Systemtic Name: 3-(cyclohexylmethyl)-1-methyl-quinazolin-3-ium-2-one Openeye Name: 3-(cyclohexylmethyl)-1-methyl-quinazolin-3-ium-2-one CAS Name: 3-(cyclohexylmethyl)-1-methyl-2-quinazolin-3-iumone IUPAC Name: 3-(cyclohexylmethyl)-1-methylquinazolin-3-ium-2-one Traditional Name: 3-(cyclohexylmethyl)-1-methyl-quinazolin-3-ium-2-one Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=[N+](C1=O)CC3CCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2C=[N+](C1=O)CC3CCCCC3

InChI

InChI=1S/C16H21N2O/c1-17-15-10-6-5-9-14(15)12-18(16(17)19)11-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3/q+1