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

Systemtic Name: N-[3-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-keto-propyl]-2-methyl-benzamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3/c1-17-8-3-4-9-18(17)22(27)23-12-11-21(26)24-16-19(20-10-7-15-28-20)25-13-5-2-6-14-25/h3-4,7-10,15,19H,2,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26)/p+1/t19-/m0/s1