3-(4-heptadecyl-3-oxidanidyl-2H-quinazolin-3-ium-1-yl)-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-(4-heptadecyl-3-oxidanidyl-2H-quinazolin-3-ium-1-yl)-N,N-dimethyl-propan-1-amine Openeye Name: 3-(4-heptadecyl-3-oxido-2H-quinazolin-3-ium-1-yl)-N,N-dimethyl-propan-1-amine CAS Name: 3-(4-heptadecyl-3-oxido-2H-quinazolin-3-ium-1-yl)-N,N-dimethyl-1-propanamine IUPAC Name: 3-(4-heptadecyl-3-oxido-2H-quinazolin-3-ium-1-yl)-N,N-dimethylpropan-1-amine Traditional Name: 3-(4-heptadecyl-3-oxido-2H-quinazolin-3-ium-1-yl)propyl-dimethyl-amine Formula: C30H53N3O MolecularWeight: 471.76132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CN(C2=CC=CC=C21)CCCN(C)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CN(C2=CC=CC=C21)CCCN(C)C)[O-]

InChI

InChI=1S/C30H53N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-30-28-22-19-20-23-29(28)32(27-33(30)34)26-21-25-31(2)3/h19-20,22-23H,4-18,21,24-27H2,1-3H3