(3S)-N-cyclopropyl-1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(=O)NC5CC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(=O)NC5CC5

InChI

InChI=1S/C23H33N3O2/c27-23(24-20-4-5-20)19-2-1-10-26(16-19)21-7-11-25(12-8-21)15-17-3-6-22-18(14-17)9-13-28-22/h3,6,14,19-21H,1-2,4-5,7-13,15-16H2,(H,24,27)/p+2/t19-/m0/s1