N-cyclopropyl-2-[4-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C18H28N5O2+ MolecularWeight: 346.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H27N5O2/c1-13-16(14(2)21(3)20-13)6-7-18(25)23-10-8-22(9-11-23)12-17(24)19-15-4-5-15/h6-7,15H,4-5,8-12H2,1-3H3,(H,19,24)/p+1/b7-6+