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

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C25H34N4O2/c1-19(2)28-25(31)27-16-20-10-12-21(13-11-20)24(30)26-17-22-8-4-5-9-23(22)18-29-14-6-3-7-15-29/h4-5,8-13,19H,3,6-7,14-18H2,1-2H3,(H,26,30)(H2,27,28,31)/p+1