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

Systemtic Name: 3-tert-butyl-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 3-tert-butyl-13-hydroxy-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 3-tert-butyl-13-hydroxy-7-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 3-tert-butyl-13-hydroxy-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 3-tert-butyl-13-hydroxy-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C33H39N3O3+2 MolecularWeight: 525.68106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=C(C=C6)C(C)(C)C)OC5=C2

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=C(C=C6)C(C)(C)C)OC5=C2

InChI

InChI=1S/C33H37N3O3/c1-20-12-16-36(17-13-20)15-7-14-34-25-19-27-30(35-24-11-10-21(33(2,3)4)18-26(24)39-27)29-28(25)31(37)22-8-5-6-9-23(22)32(29)38/h5-6,8-11,18-20,34,38H,7,12-17H2,1-4H3/p+2