3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1R)-1-methyl-3-phenyl-propyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]C(C)CCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+][C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C19H32N2/c1-17(12-13-19-10-4-3-5-11-19)20-14-8-16-21-15-7-6-9-18(21)2/h3-5,10-11,17-18,20H,6-9,12-16H2,1-2H3/p+2/t17-,18+/m1/s1