[(2R)-2-[(4-tert-butylphenyl)methyl]-3-pyrrolidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(2R)-2-[(4-tert-butylphenyl)methyl]-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2R)-2-[(4-tert-butylphenyl)methyl]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(2R)-2-[(4-tert-butylphenyl)methyl]-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(2R)-2-[(4-tert-butylphenyl)methyl]-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2R)-2-(4-tert-butylbenzyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C[NH3+])C[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[C@H](C[NH3+])C[NH+]2CCCC2

InChI

InChI=1S/C18H30N2/c1-18(2,3)17-8-6-15(7-9-17)12-16(13-19)14-20-10-4-5-11-20/h6-9,16H,4-5,10-14,19H2,1-3H3/p+2/t16-/m1/s1