6-[[bis(2-hydroxyethyl)amino]methyl]-N-[(4-chlorophenyl)methyl]-1-methyl-1-oxidanidyl-4H-quinolin-1-ium-4-carboxamide

Systemtic Name: 6-[[bis(2-hydroxyethyl)amino]methyl]-N-[(4-chlorophenyl)methyl]-1-methyl-1-oxidanidyl-4H-quinolin-1-ium-4-carboxamide Openeye Name: 6-[[bis(2-hydroxyethyl)amino]methyl]-N-[(4-chlorophenyl)methyl]-1-methyl-1-oxido-4H-quinolin-1-ium-4-carboxamide CAS Name: 6-[[bis(2-hydroxyethyl)amino]methyl]-N-[(4-chlorophenyl)methyl]-1-methyl-1-oxido-4H-quinolin-1-ium-4-carboxamide IUPAC Name: 6-[[bis(2-hydroxyethyl)amino]methyl]-N-[(4-chlorophenyl)methyl]-1-methyl-1-oxido-4H-quinolin-1-ium-4-carboxamide Traditional Name: 6-[[bis(2-hydroxyethyl)amino]methyl]-N-(4-chlorobenzyl)-1-methyl-1-oxido-4H-quinolin-1-ium-4-carboxamide Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC(C2=C1C=CC(=C2)CN(CCO)CCO)C(=O)NCC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C[N+]1(C=CC(C2=C1C=CC(=C2)CN(CCO)CCO)C(=O)NCC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C23H28ClN3O4/c1-27(31)11-8-20(23(30)25-15-17-2-5-19(24)6-3-17)21-14-18(4-7-22(21)27)16-26(9-12-28)10-13-29/h2-8,11,14,20,28-29H,9-10,12-13,15-16H2,1H3,(H,25,30)