3-[[(Z)-2-benzamido-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(Z)-2-benzamido-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(Z)-2-benzamido-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(Z)-2-benzamido-1-oxo-3-(1H-pyrrol-2-yl)prop-2-enyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(Z)-2-benzamido-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(Z)-2-benzamido-3-(1H-pyrrol-2-yl)acryloyl]amino]propyl-diethyl-ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C(=CC1=CC=CN1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)/C(=C/C1=CC=CN1)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O2/c1-3-25(4-2)15-9-14-23-21(27)19(16-18-12-8-13-22-18)24-20(26)17-10-6-5-7-11-17/h5-8,10-13,16,22H,3-4,9,14-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/b19-16-