(3S)-N-(3,4-dimethoxyphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CN=CN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CN=CN3)OC

InChI

InChI=1S/C17H24N4O2/c1-22-16-6-5-13(8-17(16)23-2)20-14-4-3-7-21(10-14)11-15-9-18-12-19-15/h5-6,8-9,12,14,20H,3-4,7,10-11H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1