6-morpholin-4-yl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-morpholin-4-yl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide Openeye Name: 6-morpholino-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide CAS Name: 6-(4-morpholinyl)-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-morpholin-4-yl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide Traditional Name: 6-morpholino-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]nicotinamide Formula: C28H33N4O2+ MolecularWeight: 457.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CN=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C28H32N4O2/c33-28(25-11-12-27(29-20-25)32-15-17-34-18-16-32)30-19-24-5-1-2-6-26(24)23-9-7-22(8-10-23)21-31-13-3-4-14-31/h1-2,5-12,20H,3-4,13-19,21H2,(H,30,33)/p+1