2-(2,3-dihydroindol-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-indolin-1-yl-acetamide CAS Name: 2-(2,3-dihydroindol-1-yl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-indolin-1-yl-acetamide Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27(21-31-15-14-23-8-4-5-9-26(23)31)28-24-10-12-25(13-11-24)30-18-16-29(17-19-30)20-22-6-2-1-3-7-22/h1-13H,14-21H2,(H,28,32)/p+1