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

Systemtic Name: 3-tert-butyl-13-oxidanyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 3-tert-butyl-13-hydroxy-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 3-tert-butyl-13-hydroxy-7-[3-(1-pyrrolidin-1-iumyl)propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 3-tert-butyl-13-hydroxy-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 3-tert-butyl-13-hydroxy-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C31H35N3O3+2 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O3/c1-31(2,3)19-11-12-22-24(17-19)37-25-18-23(32-13-8-16-34-14-6-7-15-34)26-27(28(25)33-22)30(36)21-10-5-4-9-20(21)29(26)35/h4-5,9-12,17-18,32,36H,6-8,13-16H2,1-3H3/p+2