2-[4-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C19H25ClN3O2+ MolecularWeight: 362.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

InChI

InChI=1S/C19H24ClN3O2/c1-14-2-3-15(12-17(14)20)4-7-19(25)23-10-8-22(9-11-23)13-18(24)21-16-5-6-16/h2-4,7,12,16H,5-6,8-11,13H2,1H3,(H,21,24)/p+1/b7-4+