2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)ethanone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C

InChI

InChI=1S/C25H31N3O3/c1-4-30-25-10-6-5-9-23(25)27-13-11-26(12-14-27)18-24(29)22-16-19(2)28(20(22)3)17-21-8-7-15-31-21/h5-10,15-16H,4,11-14,17-18H2,1-3H3/p+1