(3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydrobenzofuran-5-ylmethyl)-1-indan-2-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydrobenzofuran-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-amine Traditional Name: coumaran-5-ylmethyl-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amine Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H28N2O/c1-2-5-19-14-22(13-18(19)4-1)25-10-3-6-21(16-25)24-15-17-7-8-23-20(12-17)9-11-26-23/h1-2,4-5,7-8,12,21-22,24H,3,6,9-11,13-16H2/p+1/t21-/m0/s1