N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-indazole-3-carboxamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-indazole-3-carboxamide CAS Name: N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-1H-indazole-3-carboxamide IUPAC Name: N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-1H-indazole-3-carboxamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-indazole-3-carboxamide Formula: C22H29N5O+2 MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C22H27N5O/c1-26-14-15-27(20(16-26)17-8-3-2-4-9-17)13-7-12-23-22(28)21-18-10-5-6-11-19(18)24-25-21/h2-6,8-11,20H,7,12-16H2,1H3,(H,23,28)(H,24,25)/p+2/t20-/m1/s1