(4-dimethylaminophenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: (4-dimethylaminophenyl)methyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-dimethylaminophenyl)methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [4-(dimethylamino)benzyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H29N3/c1-4-11-20-12-9-16(10-13-20)18-14-15-5-7-17(8-6-15)19(2)3/h5-8,16,18H,4,9-14H2,1-3H3/p+2