1-[2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-1,2-dioxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-acetyl]isonipecotamide Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)N2CCC(CC2)C(=O)N)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)N2CCC(CC2)C(=O)N)[NH+]3CCCC3

InChI

InChI=1S/C22H33N5O3/c1-25(2)18-7-5-16(6-8-18)19(26-11-3-4-12-26)15-24-21(29)22(30)27-13-9-17(10-14-27)20(23)28/h5-8,17,19H,3-4,9-15H2,1-2H3,(H2,23,28)(H,24,29)/p+1/t19-/m0/s1