1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylmethyl)urea

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea CAS Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 3-benzyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)urea Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4/c1-33-23-8-9-24-21(17-23)16-22(25(31)28-24)19-30(11-5-10-29-12-14-34-15-13-29)26(32)27-18-20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15,18-19H2,1H3,(H,27,32)(H,28,31)/p+1