[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[3-(2-furyl)propanoyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[3-(2-furanyl)-1-oxopropyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[3-(2-furyl)propanoyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)CCC3=CC=CO3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCC3=CC=CO3

InChI

InChI=1S/C21H28N2O2/c1-22(15-13-18-7-3-2-4-8-18)19-9-5-14-23(17-19)21(24)12-11-20-10-6-16-25-20/h2-4,6-8,10,16,19H,5,9,11-15,17H2,1H3/p+1/t19-/m0/s1