(3R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-yl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-yl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-isopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-yl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-isopropyl-piperidin-1-ium-3-carboxamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)[NH+]1CCC[C@H](C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O/c1-15(2)26-13-5-6-17(14-26)22(27)23-18-11-9-16(10-12-18)21-24-19-7-3-4-8-20(19)25-21/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,23,27)(H,24,25)/p+1/t17-/m1/s1