N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1H-indole-2-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1H-indole-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1H-indole-2-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1H-indole-2-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1H-indole-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1H-indole-2-carboxamide Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N4O/c31-26(25-18-21-8-4-5-9-24(21)28-25)27-22-10-12-23(13-11-22)30-16-14-29(15-17-30)19-20-6-2-1-3-7-20/h1-13,18,28H,14-17,19H2,(H,27,31)/p+1