4-methyl-N-[(3S,4R)-1-methyl-3-(phenylmethyl)piperidin-1-ium-4-yl]pyrimidin-2-amine

Systemtic Name: 4-methyl-N-[(3S,4R)-1-methyl-3-(phenylmethyl)piperidin-1-ium-4-yl]pyrimidin-2-amine Openeye Name: N-[(3S,4R)-3-benzyl-1-methyl-piperidin-1-ium-4-yl]-4-methyl-pyrimidin-2-amine CAS Name: 4-methyl-N-[(3S,4R)-1-methyl-3-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrimidinamine IUPAC Name: N-[(3S,4R)-3-benzyl-1-methylpiperidin-1-ium-4-yl]-4-methylpyrimidin-2-amine Traditional Name: [(3S,4R)-3-benzyl-1-methyl-piperidin-1-ium-4-yl]-(4-methylpyrimidin-2-yl)amine Formula: C18H25N4+ MolecularWeight: 297.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC2CC[NH+](CC2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=NC=C1)N[C@@H]2CC[NH+](C[C@@H]2CC3=CC=CC=C3)C

InChI

InChI=1S/C18H24N4/c1-14-8-10-19-18(20-14)21-17-9-11-22(2)13-16(17)12-15-6-4-3-5-7-15/h3-8,10,16-17H,9,11-13H2,1-2H3,(H,19,20,21)/p+1/t16-,17+/m0/s1