3-tert-butyl-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione

Systemtic Name: 3-tert-butyl-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Openeye Name: 3-tert-butyl-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione CAS Name: 3-tert-butyl-7-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione IUPAC Name: 3-tert-butyl-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Traditional Name: 3-tert-butyl-7-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-quinone Formula: C33H38N3O3+ MolecularWeight: 524.67312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC(=CC6O3)C(C)(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC(=CC6O3)C(C)(C)C

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/h5-6,8-11,18-20,26,34H,7,12-17H2,1-4H3/p+1