(3S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-pyrazin-2-yl-nipecotamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2CCCN(C2)C3=NC=CN=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)[C@H]2CCCN(C2)C3=NC=CN=C3)[NH+]4CCCC4

InChI

InChI=1S/C23H31N5O2/c1-30-21-9-3-2-8-19(21)20(27-12-4-5-13-27)15-26-23(29)18-7-6-14-28(17-18)22-16-24-10-11-25-22/h2-3,8-11,16,18,20H,4-7,12-15,17H2,1H3,(H,26,29)/p+1/t18-,20-/m0/s1