dimethyl-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium Openeye Name: [(1R)-2-[(1-isopropylpiperidin-1-ium-4-yl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-phenyl-2-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium Traditional Name: [(1R)-2-[(1-isopropylpiperidin-1-ium-4-yl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC[C@@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C18H31N3/c1-15(2)21-12-10-17(11-13-21)19-14-18(20(3)4)16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/p+2/t18-/m0/s1