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

Systemtic Name: 3-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolyl)urea CAS Name: 3-(4-methylphenyl)-1-[(1-methyl-2-pyrrolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 3-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolyl)urea Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-18-6-8-19(9-7-18)22-21(26)25(17-20-5-3-10-23(20)2)12-4-11-24-13-15-27-16-14-24/h3,5-10H,4,11-17H2,1-2H3,(H,22,26)/p+1