(2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O2/c1-16-5-6-20-18(14-16)19(15-24-20)21(22(27)28)26-12-10-25(11-13-26)9-7-17-4-2-3-8-23-17/h2-6,8,14-15,21,24H,7,9-13H2,1H3,(H,27,28)/t21-/m0/s1