N-(4-butylphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-(2-furylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-(2-furfuryl)piperazin-4-ium-1-carboxamide Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-2-3-5-17-7-9-18(10-8-17)21-20(24)23-13-11-22(12-14-23)16-19-6-4-15-25-19/h4,6-10,15H,2-3,5,11-14,16H2,1H3,(H,21,24)/p+1