1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H32N4O3/c1-3-19-6-11-24-20(16-19)17-21(25(31)28-24)18-30(15-14-29-12-4-5-13-29)26(32)27-22-7-9-23(33-2)10-8-22/h6-11,16-17H,3-5,12-15,18H2,1-2H3,(H,27,32)(H,28,31)/p+1