[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-19-17-23(20(2)27(19)18-22-9-6-16-29-22)24(28)26-14-12-25(13-15-26)11-10-21-7-4-3-5-8-21/h3-9,16-17H,10-15,18H2,1-2H3/p+1