(3S)-1-[2-[(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)carbamoylamino]ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)carbamoylamino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[(1-isopropyl-5-methyl-1,2,4-triazol-3-yl)carbamoylamino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[[[(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)amino]-oxomethyl]amino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)carbamoylamino]ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[(1-isopropyl-5-methyl-1,2,4-triazol-3-yl)carbamoylamino]ethyl]piperidin-1-ium-3-carboxamide Formula: C15H28N7O2+ MolecularWeight: 338.42852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C(C)C)NC(=O)NCC[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=NC(=NN1C(C)C)NC(=O)NCC[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C15H27N7O2/c1-10(2)22-11(3)18-14(20-22)19-15(24)17-6-8-21-7-4-5-12(9-21)13(16)23/h10,12H,4-9H2,1-3H3,(H2,16,23)(H2,17,19,20,24)/p+1/t12-/m0/s1