N-[2-[3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-1-ynyl]phenyl]methanamide; methanesulfonate

Systemtic Name: N-[2-[3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-1-ynyl]phenyl]methanamide; methanesulfonate Openeye Name: N-[2-[3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-1-ynyl]phenyl]formamide; methanesulfonate CAS Name: N-[2-[3-[4-(dimethylamino)-1-pyridin-1-iumyl]prop-1-ynyl]phenyl]formamide; methanesulfonate IUPAC Name: N-[2-[3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-1-ynyl]phenyl]formamide; methanesulfonate Traditional Name: N-[2-[3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-1-ynyl]phenyl]formamide mesylate Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC#CC2=CC=CC=C2NC=O.CS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC#CC2=CC=CC=C2NC=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N3O.CH4O3S/c1-19(2)16-9-12-20(13-10-16)11-5-7-15-6-3-4-8-17(15)18-14-21;1-5(2,3)4/h3-4,6,8-10,12-14H,11H2,1-2H3;1H3,(H,2,3,4)