5-[1-[(2S)-butan-2-yl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(2S)-butan-2-yl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]-N-methyl-N-(8-quinolylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(2S)-butan-2-yl]-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-(8-quinolinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2S)-butan-2-yl]-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]-N-methyl-N-(8-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=CC=CC5=C4N=CC=C5)O

Isomeric SMILES

CC[C@H](C)[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CC=CC5=C4N=CC=C5)O

InChI

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