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

Systemtic Name: 13-oxidanyl-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-7-[2-(1-pyrrolidin-1-iumyl)ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-7-(2-pyrrolidin-1-ium-1-ylethylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C26H25N3O3+2 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

InChI

InChI=1S/C26H23N3O3/c30-25-16-7-1-2-8-17(16)26(31)23-22(25)19(27-11-14-29-12-5-6-13-29)15-21-24(23)28-18-9-3-4-10-20(18)32-21/h1-4,7-10,15,27,31H,5-6,11-14H2/p+2