[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium

Systemtic Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium Openeye Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]ammonium CAS Name: [(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]ammonium IUPAC Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]C(C)CCC2=CC=C(C=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-3-19-12-4-5-16(19)13-18-14(2)6-7-15-8-10-17(20)11-9-15/h8-11,14,16,18,20H,3-7,12-13H2,1-2H3/p+2/t14-,16-/m0/s1