N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O/c1-17-21(18(2)25(3)24-17)11-12-22(27)23-20-10-7-14-26(16-20)15-13-19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-16H2,1-3H3,(H,23,27)/p+1/t20-/m0/s1