butylamino-(4-carboxyphenyl)-methyl-[(4-methyl-1-oxidanidyl-2-oxidanyl-6H-quinolin-1-ium-2-yl)carbonyl]azanium

Systemtic Name: butylamino-(4-carboxyphenyl)-methyl-[(4-methyl-1-oxidanidyl-2-oxidanyl-6H-quinolin-1-ium-2-yl)carbonyl]azanium Openeye Name: butylamino-(4-carboxyphenyl)-(2-hydroxy-4-methyl-1-oxido-6H-quinolin-1-ium-2-carbonyl)-methyl-ammonium CAS Name: butylamino-(4-carboxyphenyl)-[(2-hydroxy-4-methyl-1-oxido-6H-quinolin-1-ium-2-yl)-oxomethyl]-methylammonium IUPAC Name: butylamino-(4-carboxyphenyl)-(2-hydroxy-4-methyl-1-oxido-6H-quinolin-1-ium-2-carbonyl)-methylazanium Traditional Name: butylamino-(4-carboxyphenyl)-(2-hydroxy-4-methyl-1-oxido-6H-quinolin-1-ium-2-carbonyl)-methyl-ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+](C)(C1=CC=C(C=C1)C(=O)O)C(=O)C2(C=C(C3=CCC=CC3=[N+]2[O-])C)O

Isomeric SMILES

CCCCN[N+](C)(C1=CC=C(C=C1)C(=O)O)C(=O)C2(C=C(C3=CCC=CC3=[N+]2[O-])C)O

InChI

InChI=1S/C23H27N3O5/c1-4-5-14-24-26(3,18-12-10-17(11-13-18)21(27)28)22(29)23(30)15-16(2)19-8-6-7-9-20(19)25(23)31/h7-13,15,24,30H,4-6,14H2,1-3H3/p+1