3-(2,6-dimethylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 3-(2,6-dimethylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea CAS Name: 3-(2,6-dimethylphenyl)-1-[(1-methyl-2-pyrrolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 3-(2,6-dimethylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 3-(2,6-dimethylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CN3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CN3C

InChI

InChI=1S/C22H32N4O2/c1-18-7-4-8-19(2)21(18)23-22(27)26(17-20-9-5-10-24(20)3)12-6-11-25-13-15-28-16-14-25/h4-5,7-10H,6,11-17H2,1-3H3,(H,23,27)/p+1