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

Systemtic Name: 1-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-1-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-1-methyl-7-[2-(4-methyl-1-piperidin-1-iumyl)ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-1-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-1-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C29H31N3O3+2 MolecularWeight: 469.57474

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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=C(C=CC=C6OC5=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3/c1-17-10-13-32(14-11-17)15-12-30-21-16-23-27(31-26-18(2)6-5-9-22(26)35-23)25-24(21)28(33)19-7-3-4-8-20(19)29(25)34/h3-9,16-17,30,34H,10-15H2,1-2H3/p+2