4-[(propan-2-ylcarbamoylamino)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C24H32N4O2/c1-18(2)27-24(30)26-16-20-9-11-22(12-10-20)23(29)25-15-19-5-7-21(8-6-19)17-28-13-3-4-14-28/h5-12,18H,3-4,13-17H2,1-2H3,(H,25,29)(H2,26,27,30)/p+1