(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-butylphenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C20H26N2O2/c1-2-3-5-17-7-9-18(10-8-17)20(23)22-13-11-21(12-14-22)16-19-6-4-15-24-19/h4,6-10,15H,2-3,5,11-14,16H2,1H3/p+1