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

Systemtic Name: 3-butoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-butoxy-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-butoxy-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-butoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-butoxy-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C21H28N2O3/c1-2-3-13-25-18-9-6-8-17(15-18)21(24)22-16-19(20-10-7-14-26-20)23-11-4-5-12-23/h6-10,14-15,19H,2-5,11-13,16H2,1H3,(H,22,24)/p+1/t19-/m0/s1