4-butoxy-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide

Systemtic Name: 4-butoxy-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide Openeye Name: 4-butoxy-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide CAS Name: 4-butoxy-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methoxybenzamide IUPAC Name: 4-butoxy-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methoxybenzamide Traditional Name: 4-butoxy-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide Formula: C23H33N2O4+ MolecularWeight: 401.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)OC

InChI

InChI=1S/C23H32N2O4/c1-3-4-14-29-21-11-10-18(16-22(21)27-2)23(26)24-17-19(20-9-8-15-28-20)25-12-6-5-7-13-25/h8-11,15-16,19H,3-7,12-14,17H2,1-2H3,(H,24,26)/p+1/t19-/m0/s1