(3S)-1-(cyclohexylmethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[(2-propylpyrimidin-5-yl)methyl]amine Formula: C20H35N4+ MolecularWeight: 331.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)CNC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CCCC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C20H34N4/c1-2-7-20-22-13-18(14-23-20)12-21-19-10-6-11-24(16-19)15-17-8-4-3-5-9-17/h13-14,17,19,21H,2-12,15-16H2,1H3/p+1/t19-/m0/s1