N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-imidazole-5-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-imidazole-5-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-imidazole-5-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-1H-imidazole-5-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-imidazole-5-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-imidazole-5-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CN=CN3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CN=CN3

InChI

InChI=1S/C19H26N4O/c1-22(19(24)18-13-20-15-21-18)17-10-6-12-23(14-17)11-5-9-16-7-3-2-4-8-16/h2-4,7-8,13,15,17H,5-6,9-12,14H2,1H3,(H,20,21)/p+1/t17-/m0/s1