(2S)-N-(4-chlorophenyl)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carboxamide

Systemtic Name: (2S)-N-(4-chlorophenyl)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carboxamide Openeye Name: (2S)-N-(4-chlorophenyl)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carboxamide CAS Name: (2S)-N-(4-chlorophenyl)-2-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperidinecarboxamide IUPAC Name: (2S)-N-(4-chlorophenyl)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carboxamide Traditional Name: (2S)-N-(4-chlorophenyl)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carboxamide Formula: C18H27ClN3O+ MolecularWeight: 336.87948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC[NH+]2CCCC2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN([C@@H](C1)CC[NH+]2CCCC2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H26ClN3O/c19-15-6-8-16(9-7-15)20-18(23)22-13-2-1-5-17(22)10-14-21-11-3-4-12-21/h6-9,17H,1-5,10-14H2,(H,20,23)/p+1/t17-/m0/s1