3-(3-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea

Systemtic Name: 3-(3-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 3-(3-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea CAS Name: 3-(3-chlorophenyl)-1-[(1-methyl-2-pyrrolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 3-(3-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 3-(3-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Formula: C20H28ClN4O2+ MolecularWeight: 391.91492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN4O2/c1-23-8-3-7-19(23)16-25(10-4-9-24-11-13-27-14-12-24)20(26)22-18-6-2-5-17(21)15-18/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,22,26)/p+1