(3S)-1-pyrimidin-2-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-pyrimidin-2-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-pyrimidin-2-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-pyrimidinyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-pyrimidin-2-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-pyrimidyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]nipecotamide Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O/c27-20(18-5-3-14-26(16-18)21-22-10-4-11-23-21)24-19-8-6-17(7-9-19)15-25-12-1-2-13-25/h4,6-11,18H,1-3,5,12-16H2,(H,24,27)/p+1/t18-/m0/s1