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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+]6CCCC6

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+]6CCCC6

InChI

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