N-(4-ethoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzamide Traditional Name: N-p-phenetyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C21H25N3O3/c1-2-27-17-11-9-16(10-12-17)22-21(26)18-7-3-4-8-19(18)23-20(25)15-24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,26)(H,23,25)/p+1