4-ethoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-ethoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-ethoxy-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-ethoxy-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-ethoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-ethoxy-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(O2)C)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(O2)C)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O3/c1-3-25-18-10-8-17(9-11-18)21(24)22-15-19(20-12-7-16(2)26-20)23-13-5-4-6-14-23/h7-12,19H,3-6,13-15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1