(3S)-1-(cyclohexylmethyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[(1-ethylpyrazol-4-yl)methyl]amine Formula: C18H33N4+ MolecularWeight: 305.48142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CCN1C=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C18H32N4/c1-2-22-14-17(12-20-22)11-19-18-9-6-10-21(15-18)13-16-7-4-3-5-8-16/h12,14,16,18-19H,2-11,13,15H2,1H3/p+1/t18-/m0/s1