N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C22H30N4O3/c1-16(2)25-22(28)24-14-17-7-9-18(10-8-17)21(27)23-15-19(20-6-5-13-29-20)26-11-3-4-12-26/h5-10,13,16,19H,3-4,11-12,14-15H2,1-2H3,(H,23,27)(H2,24,25,28)/p+1/t19-/m1/s1