1-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-N-cyclopropyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-N-cyclopropylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(E)-3-(3-chlorophenyl)acryloyl]-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)C=CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)/C=C/C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H30ClN3O2/c24-19-3-1-2-17(16-19)4-7-22(28)27-14-10-21(11-15-27)26-12-8-18(9-13-26)23(29)25-20-5-6-20/h1-4,7,16,18,20-21H,5-6,8-15H2,(H,25,29)/p+1/b7-4+