(3S)-N-cyclopropyl-1-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C21H37N5O+2 MolecularWeight: 375.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C21H35N5O/c1-16(2)26-14-17(12-22-26)13-24-10-7-20(8-11-24)25-9-3-4-18(15-25)21(27)23-19-5-6-19/h12,14,16,18-20H,3-11,13,15H2,1-2H3,(H,23,27)/p+2/t18-/m0/s1