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

Systemtic Name: 2-(propan-2-ylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(isopropylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(propan-2-ylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(isopropylcarbamoylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H30N4O2/c1-17(2)25-23(29)26-21-8-4-3-7-20(21)22(28)24-15-18-9-11-19(12-10-18)16-27-13-5-6-14-27/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,24,28)(H2,25,26,29)/p+1