3-bromanyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-bromanyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-bromo-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-bromo-N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-bromo-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-bromo-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C20H27BrN3O2+ MolecularWeight: 421.35128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H26BrN3O2/c1-22-8-3-7-19(22)16-24(10-4-9-23-11-13-26-14-12-23)20(25)17-5-2-6-18(21)15-17/h2-3,5-8,15H,4,9-14,16H2,1H3/p+1