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

Systemtic Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-1-methyl-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-13-hydroxy-1-methyl-naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 7-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propylamino]-13-hydroxy-1-methyl-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-13-hydroxy-1-methylnaphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 7-[3-[(2S)-2-ethylpiperidin-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:

CCC1CCCC[NH+]1CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=CC=C6OC5=C2)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=CC=C6OC5=C2)C

InChI

InChI=1S/C31H33N3O3/c1-3-20-11-6-7-16-34(20)17-9-15-32-23-18-25-29(33-28-19(2)10-8-14-24(28)37-25)27-26(23)30(35)21-12-4-5-13-22(21)31(27)36/h4-5,8,10,12-14,18,20,32,36H,3,6-7,9,11,15-17H2,1-2H3/p+2/t20-/m0/s1