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

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

Systemtic Name:4-(azepan-1-ium-1-ylmethyl)-N-cyclopentyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide
Openeye Name:4-(azepan-1-ium-1-ylmethyl)-N-cyclopentyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide
CAS Name:4-(1-azepan-1-iumylmethyl)-N-cyclopentyl-5-hydroxy-2-methyl-3-benzofurancarboxamide
IUPAC Name:4-(azepan-1-ium-1-ylmethyl)-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Traditional Name:4-(azepan-1-ium-1-ylmethyl)-N-cyclopentyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide
Formula: C22H31N2O3+
MolecularWeight: 371.49314
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCCC3)O)C(=O)NC4CCCC4


Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCCC3)O)C(=O)NC4CCCC4


InChI

InChI=1S/C22H30N2O3/c1-15-20(22(26)23-16-8-4-5-9-16)21-17(18(25)10-11-19(21)27-15)14-24-12-6-2-3-7-13-24/h10-11,16,25H,2-9,12-14H2,1H3,(H,23,26)/p+1


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