1-[1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(2R)-2,3-dihydrobenzofuran-2-carbonyl]-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(2R)-coumaran-2-carbonyl]-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C23H33N3O3/c1-16(2)24-22(27)17-7-11-25(12-8-17)19-9-13-26(14-10-19)23(28)21-15-18-5-3-4-6-20(18)29-21/h3-6,16-17,19,21H,7-15H2,1-2H3,(H,24,27)/p+1/t21-/m1/s1