[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(4-propan-2-yloxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(4-isopropoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(4-propan-2-yloxyphenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-propan-2-yloxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(4-isopropoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C)[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-15(2)21-18-9-7-17(8-10-18)16(3)19-11-6-14-20-12-4-5-13-20/h7-10,15-16,19H,4-6,11-14H2,1-3H3/p+2/t16-/m0/s1