2-(azocan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H31N3O/c24-20(17-23-12-4-2-1-3-5-13-23)21-19-10-8-18(9-11-19)16-22-14-6-7-15-22/h8-11H,1-7,12-17H2,(H,21,24)/p+2