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

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CN=CN3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CN=CN3)C

InChI

InChI=1S/C17H24N4/c1-13-5-6-15(8-14(13)2)20-16-4-3-7-21(10-16)11-17-9-18-12-19-17/h5-6,8-9,12,16,20H,3-4,7,10-11H2,1-2H3,(H,18,19)/p+1/t16-/m0/s1