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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(1-ethyl-5-methyl-pyrazol-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:

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4)C

InChI

InChI=1S/C21H35N5O/c1-3-26-16(2)18(13-22-26)14-24-11-8-20(9-12-24)25-10-4-5-17(15-25)21(27)23-19-6-7-19/h13,17,19-20H,3-12,14-15H2,1-2H3,(H,23,27)/p+2/t17-/m0/s1