3-bromanyl-4-ethoxy-5-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)OC

InChI

InChI=1S/C21H25BrN2O3/c1-3-27-20-18(22)12-16(13-19(20)26-2)21(25)23-17-8-6-15(7-9-17)14-24-10-4-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)/p+1