N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-cyclopentene-1-carboxamide

Systemtic Name: N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-cyclopentene-1-carboxamide Openeye Name: N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-cyclopentene-1-carboxamide CAS Name: N-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-1-cyclopentenecarboxamide IUPAC Name: N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylcyclopentene-1-carboxamide Traditional Name: N-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-cyclopentene-1-carboxamide Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)C3=CCCC3

Isomeric SMILES

C[NH+]1CCC[C@H](C1)CN(CCC2=CC=CC=C2)C(=O)C3=CCCC3

InChI

InChI=1S/C21H30N2O/c1-22-14-7-10-19(16-22)17-23(21(24)20-11-5-6-12-20)15-13-18-8-3-2-4-9-18/h2-4,8-9,11,19H,5-7,10,12-17H2,1H3/p+1/t19-/m1/s1