ethyl 1,2-dimethyl-5-[(2R)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propoxy]indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-[(2R)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2R)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[(2R)-3-(4-benzoyl-1-piperazin-1-iumyl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[(2R)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C27H34N3O5+ MolecularWeight: 480.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@@H](C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)O)C)C

InChI

InChI=1S/C27H33N3O5/c1-4-34-27(33)25-19(2)28(3)24-11-10-22(16-23(24)25)35-18-21(31)17-29-12-14-30(15-13-29)26(32)20-8-6-5-7-9-20/h5-11,16,21,31H,4,12-15,17-18H2,1-3H3/p+1/t21-/m1/s1