7-[2-(4-methylpiperazin-4-ium-1-yl)ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one

Systemtic Name: 7-[2-(4-methylpiperazin-4-ium-1-yl)ethylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-7-[2-(4-methylpiperazin-4-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-7-[2-(4-methyl-1-piperazin-4-iumyl)ethylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-7-[2-(4-methylpiperazin-4-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-7-[2-(4-methylpiperazin-4-ium-1-yl)ethylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C27H28N4O3+2 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

Isomeric SMILES

C[NH+]1CCN(CC1)CCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

InChI

InChI=1S/C27H26N4O3/c1-30-12-14-31(15-13-30)11-10-28-20-16-22-25(29-19-8-4-5-9-21(19)34-22)24-23(20)26(32)17-6-2-3-7-18(17)27(24)33/h2-9,16,28,33H,10-15H2,1H3/p+2