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

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-benzamide Openeye Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-benzamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-phenylbenzamide IUPAC Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylbenzamide Traditional Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-benzamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-27-14-5-9-25(27)21-29(16-6-15-28-17-19-31-20-18-28)26(30)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-5,7-14H,6,15-21H2,1H3/p+1