N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2/c1-18(2)26-24(30)25-16-19-8-10-21(11-9-19)23(29)27-22-12-14-28(15-13-22)17-20-6-4-3-5-7-20/h3-11,18,22H,12-17H2,1-2H3,(H,27,29)(H2,25,26,30)/p+1