(3S)-N-methyl-1-phenethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-1-phenethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-phenethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-phenethyl-N-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-phenethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-[(3,5,6-trimethylpyrazin-2-yl)methyl]amine Formula: C22H33N4+ MolecularWeight: 353.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)C)CN(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=N1)C)CN(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4/c1-17-18(2)24-22(19(3)23-17)16-25(4)21-11-8-13-26(15-21)14-12-20-9-6-5-7-10-20/h5-7,9-10,21H,8,11-16H2,1-4H3/p+1/t21-/m0/s1