N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(S)-(1-methyl-2-imidazolyl)-phenylmethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24N4O/c1-21-13-10-19-18(21)17(15-8-4-2-5-9-15)20-16(23)14-22-11-6-3-7-12-22/h2,4-5,8-10,13,17H,3,6-7,11-12,14H2,1H3,(H,20,23)/p+1/t17-/m0/s1