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

Systemtic Name: 1-methyl-13-oxidanyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-1-methyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-1-methyl-7-[3-(1-pyrrolidin-1-iumyl)propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-1-methyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-1-methyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C28H29N3O3+2 MolecularWeight: 455.54816

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)NCCC[NH+]6CCCC6

Isomeric SMILES

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+]6CCCC6

InChI

InChI=1S/C28H27N3O3/c1-17-8-6-11-21-25(17)30-26-22(34-21)16-20(29-12-7-15-31-13-4-5-14-31)23-24(26)28(33)19-10-3-2-9-18(19)27(23)32/h2-3,6,8-11,16,29,33H,4-5,7,12-15H2,1H3/p+2