N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-pyrazinamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C18H21ClN4O/c1-13-10-21-16(11-20-13)18(24)22-12-17(23-8-4-5-9-23)14-6-2-3-7-15(14)19/h2-3,6-7,10-11,17H,4-5,8-9,12H2,1H3,(H,22,24)/p+1/t17-/m0/s1