2-[[(E)-2-benzamido-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(E)-2-benzamido-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(E)-2-benzamido-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(E)-2-benzamido-3-(1-methyl-2-pyrrolyl)-1-oxoprop-2-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(E)-2-benzamido-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(E)-2-benzamido-3-(1-methylpyrrol-2-yl)acryloyl]amino]ethyl-diethyl-ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(=CC1=CC=CN1C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)/C(=C\C1=CC=CN1C)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O2/c1-4-25(5-2)15-13-22-21(27)19(16-18-12-9-14-24(18)3)23-20(26)17-10-7-6-8-11-17/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)/p+1/b19-16+