1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C26H32N4O3/c1-18-10-11-19(2)24-21(18)16-20(25(31)28-24)17-30(15-14-29-12-6-7-13-29)26(32)27-22-8-4-5-9-23(22)33-3/h4-5,8-11,16H,6-7,12-15,17H2,1-3H3,(H,27,32)(H,28,31)/p+1