N-propan-2-yl-1-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-propan-2-yl-1-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-propan-2-yl-1-[1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-propan-2-yl-1-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C21H39N5O+2 MolecularWeight: 377.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)C(C)CCN3C=CC=N3

Isomeric SMILES

C[C@H](CCN1C=CC=N1)[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC(C)C

InChI

InChI=1S/C21H37N5O/c1-17(2)23-21(27)19-6-12-25(13-7-19)20-8-14-24(15-9-20)18(3)5-16-26-11-4-10-22-26/h4,10-11,17-20H,5-9,12-16H2,1-3H3,(H,23,27)/p+2/t18-/m1/s1