[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-[(2S)-heptan-2-yl]azanium

Systemtic Name: [(2S)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-[(2S)-heptan-2-yl]azanium Openeye Name: [(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-[(2S)-heptan-2-yl]ammonium IUPAC Name: [(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-[(2S)-heptan-2-yl]azanium Traditional Name: [(2S)-2-(2-furyl)-2-pyrrolidino-ethyl]-[(1S)-1-methylhexyl]ammonium Formula: C17H31N2O+ MolecularWeight: 279.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC(C1=CC=CO1)N2CCCC2

Isomeric SMILES

CCCCC[C@H](C)[NH2+]C[C@@H](C1=CC=CO1)N2CCCC2

InChI

InChI=1S/C17H30N2O/c1-3-4-5-9-15(2)18-14-16(17-10-8-13-20-17)19-11-6-7-12-19/h8,10,13,15-16,18H,3-7,9,11-12,14H2,1-2H3/p+1/t15-,16-/m0/s1