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

Systemtic Name: 7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-1-methyl-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-hydroxy-1-methyl-naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 7-[3-(3,3-dimethyl-1-piperidin-1-iumyl)propylamino]-13-hydroxy-1-methyl-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-hydroxy-1-methylnaphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 7-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propylamino]-13-hydroxy-1-methyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C31H35N3O3+2 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+]6CCCC(C6)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+]6CCCC(C6)(C)C

InChI

InChI=1S/C31H33N3O3/c1-19-9-6-12-23-27(19)33-28-24(37-23)17-22(32-14-8-16-34-15-7-13-31(2,3)18-34)25-26(28)30(36)21-11-5-4-10-20(21)29(25)35/h4-6,9-12,17,32,36H,7-8,13-16,18H2,1-3H3/p+2