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

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-1H-indole-2-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O2/c1-17(24-22(28)21-15-19-9-5-6-10-20(19)25-21)23(29)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15,17,25H,11-14,16H2,1H3,(H,24,28)/p+1/t17-/m0/s1