N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-oxomethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-ylpropyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)NCC1=CC=C(C=C1)NC(=O)C2CC2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)NCC1=CC=C(C=C1)NC(=O)C2CC2)[NH+]3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-21(2,25-12-4-3-5-13-25)15-23-20(27)22-14-16-6-10-18(11-7-16)24-19(26)17-8-9-17/h6-7,10-11,17H,3-5,8-9,12-15H2,1-2H3,(H,24,26)(H2,22,23,27)/p+1