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

Systemtic Name: (3S)-1-pyrazin-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-pyrazin-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-pyrazinyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-pyrazin-2-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-pyrazin-2-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nipecotamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c28-22(20-4-3-13-27(17-20)21-15-23-9-10-24-21)25-14-18-5-7-19(8-6-18)16-26-11-1-2-12-26/h5-10,15,20H,1-4,11-14,16-17H2,(H,25,28)/p+1/t20-/m0/s1