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

Systemtic Name: 2-methyl-5-oxidanyl-N-(phenylmethyl)-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-benzyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-(phenylmethyl)-4-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: N-benzyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: N-benzyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCC3)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCC3)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-16-21(23(27)24-14-17-8-4-2-5-9-17)22-18(15-25-12-6-3-7-13-25)19(26)10-11-20(22)28-16/h2,4-5,8-11,26H,3,6-7,12-15H2,1H3,(H,24,27)/p+1