4-[(7-dimethylazaniumylidene-9,9-dimethyl-anthracen-2-yl)-methyl-amino]butanoate

Systemtic Name: 4-[(7-dimethylazaniumylidene-9,9-dimethyl-anthracen-2-yl)-methyl-amino]butanoate Openeye Name: 4-[(7-dimethyliminio-9,9-dimethyl-2-anthryl)-methyl-amino]butanoate CAS Name: 4-[(7-dimethyliminio-9,9-dimethyl-2-anthracenyl)-methylamino]butanoate IUPAC Name: 4-[(7-dimethylazaniumylidene-9,9-dimethylanthracen-2-yl)-methylamino]butanoate Traditional Name: 4-[(7-dimethyliminio-9,9-dimethyl-2-anthryl)-methyl-amino]butyrate Formula: C23H28N2O2 MolecularWeight: 364.48062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=[N+](C)C)C=CC2=CC3=C1C=C(C=C3)N(C)CCCC(=O)[O-])C

Isomeric SMILES

CC1(C2=CC(=[N+](C)C)C=CC2=CC3=C1C=C(C=C3)N(C)CCCC(=O)[O-])C

InChI

InChI=1S/C23H28N2O2/c1-23(2)20-14-18(24(3)4)10-8-16(20)13-17-9-11-19(15-21(17)23)25(5)12-6-7-22(26)27/h8-11,13-15H,6-7,12H2,1-5H3