1-methyl-13-oxidanyl-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one

Systemtic Name: 1-methyl-13-oxidanyl-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-1-methyl-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-1-methyl-7-[3-(1-piperazin-4-iumyl)propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-1-methyl-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-1-methyl-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C28H30N4O3+2 MolecularWeight: 470.5628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCCN6CC[NH2+]CC6

Isomeric SMILES

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCCN6CC[NH2+]CC6

InChI

InChI=1S/C28H28N4O3/c1-17-6-4-9-21-25(17)31-26-22(35-21)16-20(30-10-5-13-32-14-11-29-12-15-32)23-24(26)28(34)19-8-3-2-7-18(19)27(23)33/h2-4,6-9,16,29-30,34H,5,10-15H2,1H3/p+2