(2S)-N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-1-ethanoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-acetyl-N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-acetyl-N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-2-carboxamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC(=O)N1CCC[C@H]1C(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H30N4O2/c1-16(25)24-14-8-10-18(24)20(26)22-15-17-9-7-11-21-19(17)23-12-5-3-2-4-6-13-23/h7,9,11,18H,2-6,8,10,12-15H2,1H3,(H,22,26)/p+1/t18-/m0/s1