(3S)-1-(cyclohexylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[(1,5-dimethylpyrazol-4-yl)methyl]amine Formula: C18H33N4+ MolecularWeight: 305.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC1=C(C=NN1C)CN[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

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