4-tert-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2S)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-2-(2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2S)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O3/c1-21(2,3)17-8-6-16(7-9-17)20(24)22-15-18(19-5-4-12-26-19)23-10-13-25-14-11-23/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,22,24)/p+1/t18-/m0/s1