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

Systemtic Name: N-[(3S,4R)-1-methyl-3-(phenylmethyl)piperidin-1-ium-4-yl]pyrazin-2-amine Openeye Name: N-[(3S,4R)-3-benzyl-1-methyl-piperidin-1-ium-4-yl]pyrazin-2-amine CAS Name: N-[(3S,4R)-1-methyl-3-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrazinamine IUPAC Name: N-[(3S,4R)-3-benzyl-1-methylpiperidin-1-ium-4-yl]pyrazin-2-amine Traditional Name: [(3S,4R)-3-benzyl-1-methyl-piperidin-1-ium-4-yl]-pyrazin-2-yl-amine Formula: C17H23N4+ MolecularWeight: 283.39132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)CC2=CC=CC=C2)NC3=NC=CN=C3

Isomeric SMILES

C[NH+]1CC[C@H]([C@H](C1)CC2=CC=CC=C2)NC3=NC=CN=C3

InChI

InChI=1S/C17H22N4/c1-21-10-7-16(20-17-12-18-8-9-19-17)15(13-21)11-14-5-3-2-4-6-14/h2-6,8-9,12,15-16H,7,10-11,13H2,1H3,(H,19,20)/p+1/t15-,16+/m0/s1