(2S)-N-phenethyl-6-[(3-phenylmethoxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-N-phenethyl-6-[(3-phenylmethoxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-6-[(3-benzyloxyphenyl)methyl]-N-phenethyl-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-N-phenethyl-6-[(3-phenylmethoxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-N-phenethyl-6-[(3-phenylmethoxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-6-(3-benzoxybenzyl)-N-phenethyl-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C30H35N2O2+ MolecularWeight: 455.6111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12CC2C(=O)NCCC3=CC=CC=C3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC12C[C@@H]2C(=O)NCCC3=CC=CC=C3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H34N2O2/c33-29(31-17-14-24-8-3-1-4-9-24)28-21-30(28)15-18-32(19-16-30)22-26-12-7-13-27(20-26)34-23-25-10-5-2-6-11-25/h1-13,20,28H,14-19,21-23H2,(H,31,33)/p+1/t28-/m1/s1