(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-ol Formula: C19H36N4O+2 MolecularWeight: 336.51534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3)C

InChI

InChI=1S/C19H34N4O/c1-4-23-16(3)17(15(2)20-23)13-21-12-9-18(19(24)14-21)22-10-7-5-6-8-11-22/h18-19,24H,4-14H2,1-3H3/p+2/t18-,19-/m1/s1