(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-(1H-imidazol-2-ylmethyl)amine Formula: C16H29N4+ MolecularWeight: 277.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NCC3=NC=CN3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NCC3=NC=CN3

InChI

InChI=1S/C16H28N4/c1-2-5-14(6-3-1)12-20-10-4-7-15(13-20)19-11-16-17-8-9-18-16/h8-9,14-15,19H,1-7,10-13H2,(H,17,18)/p+1/t15-/m0/s1