N-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl]cyclohexanamine

Systemtic Name: N-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl]cyclohexanamine Openeye Name: N-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]cyclohexanamine CAS Name: N-[(4-methyl-3-oxido-2-quinazolin-3-iumyl)methyl]cyclohexanamine IUPAC Name: N-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl]cyclohexanamine Traditional Name: cyclohexyl-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]amine Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CNC3CCCCC3)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CNC3CCCCC3)[O-]

InChI

InChI=1S/C16H21N3O/c1-12-14-9-5-6-10-15(14)18-16(19(12)20)11-17-13-7-3-2-4-8-13/h5-6,9-10,13,17H,2-4,7-8,11H2,1H3