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

Systemtic Name: (3S)-N-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1-(cyclohexylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1-(cyclohexylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1-(cyclohexylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(cyclohexylmethyl)piperidin-1-ium-3-amine Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]amine Formula: C18H32ClN4+ MolecularWeight: 339.92648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC2CCC[NH+](C2)CC3CCCCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN[C@H]2CCC[NH+](C2)CC3CCCCC3)Cl)C

InChI

InChI=1S/C18H31ClN4/c1-14-17(18(19)22(2)21-14)11-20-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h15-16,20H,3-13H2,1-2H3/p+1/t16-/m0/s1