(2S)-6-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12CC2C(=O)NCCCC3=CC=CC=C3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC12C[C@@H]2C(=O)NCCCC3=CC=CC=C3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H31N3O/c30-25(27-14-6-9-20-7-2-1-3-8-20)23-18-26(23)12-15-29(16-13-26)19-22-17-21-10-4-5-11-24(21)28-22/h1-5,7-8,10-11,17,23,28H,6,9,12-16,18-19H2,(H,27,30)/p+1/t23-/m1/s1