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

Systemtic Name: 3-tert-butyl-7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 3-tert-butyl-7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-hydroxy-naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 3-tert-butyl-7-[3-(3,3-dimethyl-1-piperidin-1-iumyl)propylamino]-13-hydroxy-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 3-tert-butyl-7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-hydroxynaphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 3-tert-butyl-7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-hydroxy-naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C34H41N3O3+2 MolecularWeight: 539.70764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CCCNC2=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)CCCNC2=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/C34H39N3O3/c1-33(2,3)21-12-13-24-26(18-21)40-27-19-25(35-15-9-17-37-16-8-14-34(4,5)20-37)28-29(30(27)36-24)32(39)23-11-7-6-10-22(23)31(28)38/h6-7,10-13,18-19,35,39H,8-9,14-17,20H2,1-5H3/p+2