7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one

Systemtic Name: 7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-7-[2-(4-methyl-1-piperidin-1-iumyl)ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C28H29N3O3+2 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

Isomeric SMILES

CC1CC[NH+](CC1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

InChI

InChI=1S/C28H27N3O3/c1-17-10-13-31(14-11-17)15-12-29-21-16-23-26(30-20-8-4-5-9-22(20)34-23)25-24(21)27(32)18-6-2-3-7-19(18)28(25)33/h2-9,16-17,29,33H,10-15H2,1H3/p+2