N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl]-3-methyl-benzamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C21H27N3O3/c1-16-7-5-8-17(13-16)21(26)23-15-20(25)22-14-18(19-9-6-12-27-19)24-10-3-2-4-11-24/h5-9,12-13,18H,2-4,10-11,14-15H2,1H3,(H,22,25)(H,23,26)/p+1/t18-/m0/s1