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

Systemtic Name: N-cyclopropyl-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(E)-3-(2-thienyl)prop-2-enoyl]-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(E)-3-(2-thienyl)acryloyl]-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C21H29N3O2S/c25-20(6-5-19-2-1-15-27-19)24-13-9-18(10-14-24)23-11-7-16(8-12-23)21(26)22-17-3-4-17/h1-2,5-6,15-18H,3-4,7-14H2,(H,22,26)/p+1/b6-5+