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

Systemtic Name: 1-methyl-13-oxidanyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-1-methyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-1-methyl-7-[2-(1-pyrrolidin-1-iumyl)ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-1-methyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-1-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=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCC[NH+]6CCCC6

Isomeric SMILES

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

InChI

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