(2S)-N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(9,10-dioxo-2-anthryl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(9,10-dioxo-2-anthracenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(9,10-dioxoanthracen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(9,10-diketo-2-anthryl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-18(29-13-15-30(16-14-29)20-7-3-2-4-8-20)27(33)28-19-11-12-23-24(17-19)26(32)22-10-6-5-9-21(22)25(23)31/h2-12,17-18H,13-16H2,1H3,(H,28,33)/p+1/t18-/m0/s1