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

Systemtic Name: 3-tert-butyl-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 3-tert-butyl-13-hydroxy-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 3-tert-butyl-13-hydroxy-7-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 3-tert-butyl-13-hydroxy-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 3-tert-butyl-13-hydroxy-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C33H39N3O3+2 MolecularWeight: 525.68106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC2=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)CCCNC2=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/C33H37N3O3/c1-20-9-7-15-36(19-20)16-8-14-34-25-18-27-30(35-24-13-12-21(33(2,3)4)17-26(24)39-27)29-28(25)31(37)22-10-5-6-11-23(22)32(29)38/h5-6,10-13,17-18,20,34,38H,7-9,14-16,19H2,1-4H3/p+2/t20-/m0/s1