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

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

CC1CCC[NH+](C1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=C(C=C6)C)OC5=C2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=C(C=C6)C)OC5=C2

InChI

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