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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC(=CC6O3)C(C)(C)C)C

Isomeric SMILES

CC1(CCC[NH+](C1)CCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC(=CC6O3)C(C)(C)C)C

InChI

InChI=1S/C33H37N3O3/c1-32(2,3)20-11-12-23-25(17-20)39-26-18-24(34-14-16-36-15-8-13-33(4,5)19-36)27-28(29(26)35-23)31(38)22-10-7-6-9-21(22)30(27)37/h6-7,9-12,17-18,25,34H,8,13-16,19H2,1-5H3/p+1