[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C17H28N2O/c1-15(5-6-16-7-9-17(20)10-8-16)18-11-4-14-19-12-2-3-13-19/h7-10,15,18,20H,2-6,11-14H2,1H3/p+2/t15-/m1/s1