N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3,4,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-3,4,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-3,4,6-trimethyl-coumarilamide Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCCC4)C)C

InChI

InChI=1S/C27H34N2O3/c1-18-15-19(2)25-20(3)26(32-24(25)16-18)27(30)28-17-23(29-13-7-5-6-8-14-29)21-9-11-22(31-4)12-10-21/h9-12,15-16,23H,5-8,13-14,17H2,1-4H3,(H,28,30)/p+1/t23-/m0/s1