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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)NC(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)NC(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H32N4O2/c1-15(2)14-25-11-9-19(10-12-25)24-21(27)22-13-16-3-7-18(8-4-16)23-20(26)17-5-6-17/h3-4,7-8,15,17,19H,5-6,9-14H2,1-2H3,(H,23,26)(H2,22,24,27)/p+1