N1'-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclopropane-1,1-dicarboxamide

Systemtic Name: N1'-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclopropane-1,1-dicarboxamide Openeye Name: N1'-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclopropane-1,1-dicarboxamide CAS Name: N1'-[(3S)-1-phenethyl-3-piperidin-1-iumyl]cyclopropane-1,1-dicarboxamide IUPAC Name: 1-N'-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclopropane-1,1-dicarboxamide Traditional Name: N'-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclopropane-1,1-dicarboxamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3(CC3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3(CC3)C(=O)N

InChI

InChI=1S/C18H25N3O2/c19-16(22)18(9-10-18)17(23)20-15-7-4-11-21(13-15)12-8-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,19,22)(H,20,23)/p+1/t15-/m0/s1