2-(1-benzofuran-2-ylmethylamino)-N-(1-cyclohexyl-2-ethyl-1-methyl-indol-1-ium-3-yl)propanamide

Systemtic Name: 2-(1-benzofuran-2-ylmethylamino)-N-(1-cyclohexyl-2-ethyl-1-methyl-indol-1-ium-3-yl)propanamide Openeye Name: 2-(benzofuran-2-ylmethylamino)-N-(1-cyclohexyl-2-ethyl-1-methyl-indol-1-ium-3-yl)propanamide CAS Name: 2-(2-benzofuranylmethylamino)-N-(1-cyclohexyl-2-ethyl-1-methyl-3-indol-1-iumyl)propanamide IUPAC Name: 2-(1-benzofuran-2-ylmethylamino)-N-(1-cyclohexyl-2-ethyl-1-methylindol-1-ium-3-yl)propanamide Traditional Name: 2-(benzofuran-2-ylmethylamino)-N-(1-cyclohexyl-2-ethyl-1-methyl-indol-1-ium-3-yl)propionamide Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2[N+]1(C)C3CCCCC3)NC(=O)C(C)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2[N+]1(C)C3CCCCC3)NC(=O)C(C)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H35N3O2/c1-4-25-28(24-15-9-10-16-26(24)32(25,3)22-13-6-5-7-14-22)31-29(33)20(2)30-19-23-18-21-12-8-11-17-27(21)34-23/h8-12,15-18,20,22,30H,4-7,13-14,19H2,1-3H3/p+1