(2,5-dimethylpyrazol-3-yl)methyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylcarbonyl-amino]propyl]azanium

Systemtic Name: (2,5-dimethylpyrazol-3-yl)methyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylcarbonyl-amino]propyl]azanium Openeye Name: 3-[tert-butoxycarbonyl(pyridine-3-carbonyl)amino]propyl-[(2,5-dimethylpyrazol-3-yl)methyl]ammonium CAS Name: (2,5-dimethyl-3-pyrazolyl)methyl-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo(3-pyridinyl)methyl]amino]propyl]ammonium IUPAC Name: (2,5-dimethylpyrazol-3-yl)methyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridine-3-carbonyl)amino]propyl]azanium Traditional Name: 3-[tert-butoxycarbonyl(nicotinoyl)amino]propyl-[(2,5-dimethylpyrazol-3-yl)methyl]ammonium Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C[NH2+]CCCN(C(=O)C2=CN=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1)C[NH2+]CCCN(C(=O)C2=CN=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H29N5O3/c1-15-12-17(24(5)23-15)14-22-10-7-11-25(19(27)28-20(2,3)4)18(26)16-8-6-9-21-13-16/h6,8-9,12-13,22H,7,10-11,14H2,1-5H3/p+1