(2R)-N-[3-(azepan-1-ium-1-yl)propyl]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[3-(azepan-1-ium-1-yl)propyl]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[3-(azepan-1-ium-1-yl)propyl]-1-benzoyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[3-(1-azepan-1-iumyl)propyl]-1-benzoyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[3-(azepan-1-ium-1-yl)propyl]-1-benzoylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-[3-(azepan-1-ium-1-yl)propyl]-1-benzoyl-pyrrolidine-2-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2CCCN2C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)[C@H]2CCCN2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c25-20(22-13-9-16-23-14-6-1-2-7-15-23)19-12-8-17-24(19)21(26)18-10-4-3-5-11-18/h3-5,10-11,19H,1-2,6-9,12-17H2,(H,22,25)/p+1/t19-/m1/s1