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

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[(2-methyl-5-pyrimidinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[(2-methylpyrimidin-5-yl)methyl]amine Formula: C18H31N4+ MolecularWeight: 303.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)CNC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C18H30N4/c1-15-19-10-17(11-20-15)12-21-18-8-5-9-22(14-18)13-16-6-3-2-4-7-16/h10-11,16,18,21H,2-9,12-14H2,1H3/p+1/t18-/m0/s1