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

Systemtic Name: 3-(4-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 3-(4-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea CAS Name: 3-(4-methoxyphenyl)-1-[(1-methyl-2-pyrrolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 3-(4-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 3-(4-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-23-10-3-5-19(23)17-25(12-4-11-24-13-15-28-16-14-24)21(26)22-18-6-8-20(27-2)9-7-18/h3,5-10H,4,11-17H2,1-2H3,(H,22,26)/p+1