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

Systemtic Name: 1-methyl-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-1-methyl-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-1-methyl-7-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-1-methyl-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-1-methyl-7-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C29H31N3O3+2 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=CC=C6OC5=C2)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=CC=C6OC5=C2)C

InChI

InChI=1S/C29H29N3O3/c1-17-8-7-12-22-26(17)31-27-23(35-22)16-21(30-13-15-32-14-6-5-9-18(32)2)24-25(27)29(34)20-11-4-3-10-19(20)28(24)33/h3-4,7-8,10-12,16,18,30,34H,5-6,9,13-15H2,1-2H3/p+2/t18-/m0/s1