5-[1-[(2S)-butan-2-yl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(2S)-butan-2-yl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]-N-methyl-N-(6-quinolylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(2S)-butan-2-yl]-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-(6-quinolinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2S)-butan-2-yl]-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]-N-methyl-N-(6-quinolylmethyl)coumarilamide Formula: C29H34N3O3+ MolecularWeight: 472.59856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CC5=C(C=C4)N=CC=C5)O

Isomeric SMILES

CC[C@H](C)[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CC5=C(C=C4)N=CC=C5)O

InChI

InChI=1S/C29H33N3O3/c1-4-20(2)32-14-11-29(34,12-15-32)24-8-10-26-23(17-24)18-27(35-26)28(33)31(3)19-21-7-9-25-22(16-21)6-5-13-30-25/h5-10,13,16-18,20,34H,4,11-12,14-15,19H2,1-3H3/p+1/t20-/m0/s1