ethyl 4-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H30N4O3/c1-2-29-22(28)26-13-11-25(12-14-26)21(27)16-24-9-7-17(8-10-24)19-15-23-20-6-4-3-5-18(19)20/h3-6,15,17,23H,2,7-14,16H2,1H3/p+1