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

Systemtic Name: 3-tert-butyl-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 3-tert-butyl-13-hydroxy-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 3-tert-butyl-13-hydroxy-7-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 3-tert-butyl-13-hydroxy-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 3-tert-butyl-13-hydroxy-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C32H37N3O3+2 MolecularWeight: 511.65448

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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(C)(C)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(C)(C)C)OC5=C2

InChI

InChI=1S/C32H35N3O3/c1-19-8-7-14-35(18-19)15-13-33-24-17-26-29(34-23-12-11-20(32(2,3)4)16-25(23)38-26)28-27(24)30(36)21-9-5-6-10-22(21)31(28)37/h5-6,9-12,16-17,19,33,37H,7-8,13-15,18H2,1-4H3/p+2/t19-/m0/s1