N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-3,4,5-trimethoxy-benzamide Formula: C21H29N2O5+ MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C21H28N2O5/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)22-13-15-6-8-23(9-7-15)14-17-5-4-10-28-17/h4-5,10-12,15H,6-9,13-14H2,1-3H3,(H,22,24)/p+1