5,7-bis(chloranyl)-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]indol-1-ium-2-one

Systemtic Name: 5,7-bis(chloranyl)-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]indol-1-ium-2-one Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5,7-dichloro-indol-1-ium-2-one CAS Name: 5,7-dichloro-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]-2-indol-1-iumone IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5,7-dichloroindol-1-ium-2-one Traditional Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5,7-dichloro-indol-1-ium-2-one Formula: C19H20Cl2N4O+2 MolecularWeight: 391.2943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC3=C4C=C(C=C(C4=[NH+]C3=O)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC3=C4C=C(C=C(C4=[NH+]C3=O)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4O/c20-14-10-15-17(16(21)11-14)22-19(26)18(15)23-25-8-6-24(7-9-25)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,22,23,26)/p+2