5-bromanyl-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one

Systemtic Name: 5-bromanyl-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5-bromo-indol-2-one CAS Name: 5-bromo-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]-2-indolone IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5-bromoindol-2-one Traditional Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5-bromo-indol-2-one Formula: C19H20BrN4O+ MolecularWeight: 400.2923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC3=C4C=C(C=CC4=NC3=O)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC3=C4C=C(C=CC4=NC3=O)Br

InChI

InChI=1S/C19H19BrN4O/c20-15-6-7-17-16(12-15)18(19(25)21-17)22-24-10-8-23(9-11-24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22,25)/p+1