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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C26H33N4O2+ MolecularWeight: 433.56582

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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)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-2-20-10-11-24-22(16-20)17-23(25(31)28-24)19-30(15-14-29-12-6-7-13-29)26(32)27-18-21-8-4-3-5-9-21/h3-5,8-11,16-17H,2,6-7,12-15,18-19H2,1H3,(H,27,32)(H,28,31)/p+1