N-[(Z)-1-(furan-2-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(Z)-1-(furan-2-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]-3-methyl-benzamide Openeye Name: N-[(Z)-2-(2-furyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-3-methyl-benzamide CAS Name: N-[(Z)-1-(2-furanyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]-3-methylbenzamide IUPAC Name: N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]-3-methylbenzamide Traditional Name: N-[(Z)-2-(2-furyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-3-methyl-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCN3CC[NH2+]CC3

InChI

InChI=1S/C21H26N4O3/c1-16-4-2-5-17(14-16)20(26)24-19(15-18-6-3-13-28-18)21(27)23-9-12-25-10-7-22-8-11-25/h2-6,13-15,22H,7-12H2,1H3,(H,23,27)(H,24,26)/p+1/b19-15-