4-(azepan-1-ium-1-ylmethyl)-2-methyl-5-oxidanyl-N-(phenylmethyl)-1-benzofuran-3-carboxamide

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-methyl-5-oxidanyl-N-(phenylmethyl)-1-benzofuran-3-carboxamide Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-N-benzyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: 4-(1-azepan-1-iumylmethyl)-5-hydroxy-2-methyl-N-(phenylmethyl)-3-benzofurancarboxamide IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-N-benzyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-N-benzyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCCC3)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCCC3)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-17-22(24(28)25-15-18-9-5-4-6-10-18)23-19(20(27)11-12-21(23)29-17)16-26-13-7-2-3-8-14-26/h4-6,9-12,27H,2-3,7-8,13-16H2,1H3,(H,25,28)/p+1