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

Systemtic Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-(5-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H25N3O3/c1-15-6-7-20-18(12-15)19(14-23-20)21(22(26)27)25-10-8-24(9-11-25)16-4-3-5-17(13-16)28-2/h3-7,12-14,21,23H,8-11H2,1-2H3,(H,26,27)/t21-/m0/s1