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

Systemtic Name: N-[3-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]-2-methoxy-benzamide Openeye Name: N-[3-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxo-propyl]-2-methoxy-benzamide CAS Name: N-[3-[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide IUPAC Name: N-[3-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide Traditional Name: N-[3-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-keto-propyl]-2-methoxy-benzamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O4/c1-27-18-8-3-2-7-16(18)21(26)22-11-10-20(25)23-15-17(19-9-6-14-28-19)24-12-4-5-13-24/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25)/p+1/t17-/m0/s1