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

Systemtic Name: 3-tert-butyl-7-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 3-tert-butyl-7-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethylamino]-13-hydroxy-naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 3-tert-butyl-7-[2-(3,3-dimethyl-1-piperidin-1-iumyl)ethylamino]-13-hydroxy-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 3-tert-butyl-7-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethylamino]-13-hydroxynaphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 3-tert-butyl-7-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethylamino]-13-hydroxy-naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C33H39N3O3+2 MolecularWeight: 525.68106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=C(C=C6)C(C)(C)C)OC5=C2)C

Isomeric SMILES

CC1(CCC[NH+](C1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=C(C=C6)C(C)(C)C)OC5=C2)C

InChI

InChI=1S/C33H37N3O3/c1-32(2,3)20-11-12-23-25(17-20)39-26-18-24(34-14-16-36-15-8-13-33(4,5)19-36)27-28(29(26)35-23)31(38)22-10-7-6-9-21(22)30(27)37/h6-7,9-12,17-18,34,38H,8,13-16,19H2,1-5H3/p+2