ethyl-[(3S)-1-[(2-methyl-1-benzofuran-5-yl)carbonyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(2-methyl-1-benzofuran-5-yl)carbonyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(2-methylbenzofuran-5-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(2-methyl-5-benzofuranyl)-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(2-methylbenzofuran-5-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OC(=C4)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OC(=C4)C

InChI

InChI=1S/C23H27N3O2/c1-3-25(15-18-8-10-24-11-9-18)21-5-4-12-26(16-21)23(27)19-6-7-22-20(14-19)13-17(2)28-22/h6-11,13-14,21H,3-5,12,15-16H2,1-2H3/p+1/t21-/m0/s1