(4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C25H30N3O2+ MolecularWeight: 404.5246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C25H29N3O2/c1-16-12-20(13-17(2)25(16)30-4)24(29)19-8-7-11-28(14-19)15-23-18(3)26-21-9-5-6-10-22(21)27-23/h5-6,9-10,12-13,19H,7-8,11,14-15H2,1-4H3/p+1/t19-/m0/s1