(2S)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-(7-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CCC#N

Isomeric SMILES

COC1=CC=CC2=C1NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CCC#N

InChI

InChI=1S/C18H22N4O3/c1-25-15-5-2-4-13-14(12-20-16(13)15)17(18(23)24)22-10-8-21(9-11-22)7-3-6-19/h2,4-5,12,17,20H,3,7-11H2,1H3,(H,23,24)/t17-/m0/s1