(2S)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-spiro[2.4]heptane-2-carboxamide

Systemtic Name: (2S)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-spiro[2.4]heptane-2-carboxamide Openeye Name: (2S)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-spiro[2.4]heptane-2-carboxamide CAS Name: (2S)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-N-phenethyl-2-spiro[2.4]heptanecarboxamide IUPAC Name: (2S)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethylspiro[2.4]heptane-2-carboxamide Traditional Name: (2S)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-spiro[2.4]heptane-2-carboxamide Formula: C23H35N2O+ MolecularWeight: 355.5368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)C3CC34CCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)[C@H]3CC34CCCC4

InChI

InChI=1S/C23H34N2O/c1-24-14-9-20(10-15-24)18-25(16-11-19-7-3-2-4-8-19)22(26)21-17-23(21)12-5-6-13-23/h2-4,7-8,20-21H,5-6,9-18H2,1H3/p+1/t21-/m1/s1