(3S)-N-cyclopropyl-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C20H35N5O+2 MolecularWeight: 361.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C20H33N5O/c1-15-17(12-21-23(15)2)13-24-10-7-19(8-11-24)25-9-3-4-16(14-25)20(26)22-18-5-6-18/h12,16,18-19H,3-11,13-14H2,1-2H3,(H,22,26)/p+2/t16-/m0/s1