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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H31N3O+2 MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H29N3O/c23-19(16-22-11-3-1-2-4-12-22)20-18-9-7-17(8-10-18)15-21-13-5-6-14-21/h7-10H,1-6,11-16H2,(H,20,23)/p+2