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

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetate Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H25N3O4/c1-28-16-5-3-4-15(12-16)24-8-10-25(11-9-24)21(22(26)27)19-14-23-20-7-6-17(29-2)13-18(19)20/h3-7,12-14,21,23H,8-11H2,1-2H3,(H,26,27)/t21-/m0/s1