N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]quinoxaline-6-carboxamide

Systemtic Name: N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Openeye Name: N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]quinoxaline-6-carboxamide CAS Name: N-[(3R)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-6-quinoxalinecarboxamide IUPAC Name: N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Traditional Name: N-[(3R)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H21ClN4O/c22-17-6-3-15(4-7-17)13-26-11-1-2-18(14-26)25-21(27)16-5-8-19-20(12-16)24-10-9-23-19/h3-10,12,18H,1-2,11,13-14H2,(H,25,27)/p+1/t18-/m1/s1