N-methyl-5-[1-[(2S)-2-methylbutyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(quinolin-5-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-methyl-5-[1-[(2S)-2-methylbutyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(quinolin-5-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-methyl-N-(5-quinolylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(2S)-2-methylbutyl]-4-piperidin-1-iumyl]-N-methyl-N-(5-quinolinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-5-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-methyl-N-(5-quinolylmethyl)coumarilamide Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=C5C=CC=NC5=CC=C4)O

Isomeric SMILES

CC[C@H](C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=C5C=CC=NC5=CC=C4)O

InChI

InChI=1S/C30H35N3O3/c1-4-21(2)19-33-15-12-30(35,13-16-33)24-10-11-27-23(17-24)18-28(36-27)29(34)32(3)20-22-7-5-9-26-25(22)8-6-14-31-26/h5-11,14,17-18,21,35H,4,12-13,15-16,19-20H2,1-3H3/p+1/t21-/m0/s1