(4-dimethylaminophenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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