4-butoxy-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: 4-butoxy-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]benzamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C22H30N2O3/c1-2-3-14-26-20-8-6-19(7-9-20)22(25)23-16-18-10-12-24(13-11-18)17-21-5-4-15-27-21/h4-9,15,18H,2-3,10-14,16-17H2,1H3,(H,23,25)/p+1