1,3-benzodioxol-5-ylmethyl-[2-[(3-methyl-13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-methyl-13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(13-hydroxy-3-methyl-8-oxo-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(13-hydroxy-3-methyl-8-oxo-7-naphtho[2,3-a]phenoxazin-14-iumyl)amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(13-hydroxy-3-methyl-8-oxonaphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]ethyl]azanium Traditional Name: 2-[(13-hydroxy-8-keto-3-methyl-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]ethyl-piperonyl-ammonium Formula: C31H27N3O5+2 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C3C(=CC(=C4C3=C(C5=CC=CC=C5C4=O)O)NCC[NH2+]CC6=CC7=C(C=C6)OCO7)O2

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C3C(=CC(=C4C3=C(C5=CC=CC=C5C4=O)O)NCC[NH2+]CC6=CC7=C(C=C6)OCO7)O2

InChI

InChI=1S/C31H25N3O5/c1-17-6-8-21-24(12-17)39-26-14-22(33-11-10-32-15-18-7-9-23-25(13-18)38-16-37-23)27-28(29(26)34-21)31(36)20-5-3-2-4-19(20)30(27)35/h2-9,12-14,32-33,36H,10-11,15-16H2,1H3/p+2