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

Systemtic Name: 3-methyl-13-oxidanyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-3-methyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-3-methyl-7-[2-(1-pyrrolidin-1-iumyl)ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-3-methyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-3-methyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C27H27N3O3+2 MolecularWeight: 441.52158

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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[NH+]6CCCC6)O2

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C3C(=CC(=C4C3=C(C5=CC=CC=C5C4=O)O)NCC[NH+]6CCCC6)O2

InChI

InChI=1S/C27H25N3O3/c1-16-8-9-19-21(14-16)33-22-15-20(28-10-13-30-11-4-5-12-30)23-24(25(22)29-19)27(32)18-7-3-2-6-17(18)26(23)31/h2-3,6-9,14-15,28,32H,4-5,10-13H2,1H3/p+2