(3R,4R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C22H35N5O+2 MolecularWeight: 385.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H33N5O/c1-18-15-20(24-23-18)16-26-10-8-21(22(28)17-26)27-13-11-25(12-14-27)9-7-19-5-3-2-4-6-19/h2-6,15,21-22,28H,7-14,16-17H2,1H3,(H,23,24)/p+2/t21-,22-/m1/s1