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

Systemtic Name: ethyl 4-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H30N4O2/c1-2-27-21(26)25-12-10-24(11-13-25)18-6-5-9-23(16-18)15-17-14-22-20-8-4-3-7-19(17)20/h3-4,7-8,14,18,22H,2,5-6,9-13,15-16H2,1H3/p+1/t18-/m0/s1