(2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium-1-yl]acetate Formula: C27H35N4O3+ MolecularWeight: 463.5918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2CC[NH+](CC2)[C@H](C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C27H34N4O3/c32-27(33)26(31-16-14-30(15-17-31)13-12-29-10-4-5-11-29)24-19-28-25-9-8-22(18-23(24)25)34-20-21-6-2-1-3-7-21/h1-3,6-9,18-19,26,28H,4-5,10-17,20H2,(H,32,33)/p+1/t26-/m1/s1