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

Systemtic Name: (3-ethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-ethoxyphenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-ethoxyphenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-ethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-m-phenetyl-methanone Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H22N2O3/c1-2-22-16-6-3-5-15(13-16)18(21)20-10-8-19(9-11-20)14-17-7-4-12-23-17/h3-7,12-13H,2,8-11,14H2,1H3/p+1