3-[3-azanyl-3-(4-dimethylaminophenyl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-azanyl-3-(4-dimethylaminophenyl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-amino-3-(4-dimethylaminophenyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-amino-3-(4-dimethylaminophenyl)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-amino-3-(4-dimethylaminophenyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-amino-3-(4-dimethylaminophenyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)N(C)C)N)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)N(C)C)N)O

InChI

InChI=1S/C21H23N3O3/c1-23(2)14-10-8-13(9-11-14)16(22)12-18(25)19-20(26)15-6-4-5-7-17(15)24(3)21(19)27/h4-11,16,19H,12,22H2,1-3H3/p+1