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

Systemtic Name: 13-oxidanyl-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-7-[3-(1-piperazin-4-iumyl)propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-7-(3-piperazin-4-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-7-(3-piperazin-4-ium-1-ylpropylamino)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:

C1CN(CC[NH2+]1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

Isomeric SMILES

C1CN(CC[NH2+]1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

InChI

InChI=1S/C27H26N4O3/c32-26-17-6-1-2-7-18(17)27(33)24-23(26)20(29-10-5-13-31-14-11-28-12-15-31)16-22-25(24)30-19-8-3-4-9-21(19)34-22/h1-4,6-9,16,28-29,33H,5,10-15H2/p+2