N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(5-methylpyrazol-1-yl)benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C20H28N4O/c1-16-6-3-4-14-23(16)15-5-12-21-20(25)18-7-9-19(10-8-18)24-17(2)11-13-22-24/h7-11,13,16H,3-6,12,14-15H2,1-2H3,(H,21,25)/p+1/t16-/m0/s1