N-[4-[[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]amino]-oxomethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1NC(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-13-4-3-5-14(2)23(13)22-19(25)20-12-15-6-10-17(11-7-15)21-18(24)16-8-9-16/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,21,24)(H2,20,22,25)/p+1/t13-,14-/m0/s1