3-chloranyl-5-ethoxy-4-propoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3-chloranyl-5-ethoxy-4-propoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 3-chloro-5-ethoxy-4-propoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 3-chloro-5-ethoxy-4-propoxy-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-chloro-5-ethoxy-4-propoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 3-chloro-5-ethoxy-4-propoxy-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)OCC

InChI

InChI=1S/C22H28ClN3O3/c1-3-11-29-21-18(23)13-17(14-19(21)28-4-2)22(27)25-15-16-7-8-24-20(12-16)26-9-5-6-10-26/h7-8,12-14H,3-6,9-11,15H2,1-2H3,(H,25,27)/p+1