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

Systemtic Name: (3S)-1-pyrimidin-2-yl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-pyrimidin-2-yl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-pyrimidinyl)-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-pyrimidin-2-yl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-pyrimidyl)-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]nipecotamide Formula: C28H34N5O+ MolecularWeight: 456.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4CCCN(C4)C5=NC=CC=N5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)[C@H]4CCCN(C4)C5=NC=CC=N5

InChI

InChI=1S/C28H33N5O/c34-27(25-8-5-18-33(21-25)28-29-14-6-15-30-28)31-19-24-7-1-2-9-26(24)23-12-10-22(11-13-23)20-32-16-3-4-17-32/h1-2,6-7,9-15,25H,3-5,8,16-21H2,(H,31,34)/p+1/t25-/m0/s1