N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazin-2-yl-propanamide

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazin-2-yl-propanamide Openeye Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazin-2-yl-propanamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-3-(2-pyrazinyl)propanamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazin-2-ylpropanamide Traditional Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazin-2-yl-propionamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C23H32N4O/c1-19-6-3-4-8-21(19)11-15-27-14-5-7-20(18-27)17-26(2)23(28)10-9-22-16-24-12-13-25-22/h3-4,6,8,12-13,16,20H,5,7,9-11,14-15,17-18H2,1-2H3/p+1/t20-/m1/s1