2-[[(E)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(E)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(E)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(E)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(E)-2-benzamido-3-(3-pyridyl)acryloyl]amino]ethyl-diethyl-ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(=CC1=CN=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)/C(=C\C1=CN=CC=C1)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N4O2/c1-3-25(4-2)14-13-23-21(27)19(15-17-9-8-12-22-16-17)24-20(26)18-10-6-5-7-11-18/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,26)/p+1/b19-15+