[(3S)-3-(4-tert-butylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(4-tert-butylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(4-tert-butylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(4-tert-butylphenyl)-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-tert-butylphenyl)-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(4-tert-butylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)16(10-11-18)19-12-4-5-13-19/h6-9,16H,4-5,10-13,18H2,1-3H3/p+2/t16-/m0/s1