methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-[2-keto-2-(5-methoxy-1H-indol-3-yl)ethyl]piperazine-1,4-diium-1-yl]acetic acid methyl ester Formula: C18H25N3O4+2 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-24-13-3-4-16-14(9-13)15(10-19-16)17(22)11-20-5-7-21(8-6-20)12-18(23)25-2/h3-4,9-10,19H,5-8,11-12H2,1-2H3/p+2