N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-1H-indole-2-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-18(2)23(27-24(30)22-16-20-10-6-7-11-21(20)26-22)25(31)29-14-12-28(13-15-29)17-19-8-4-3-5-9-19/h3-11,16,18,23,26H,12-15,17H2,1-2H3,(H,27,30)/p+1/t23-/m0/s1