methyl-phenethyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-3-(2-pyrazinyl)propyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)-3-piperidyl]ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C21H28N4O/c1-24(15-11-18-6-3-2-4-7-18)20-8-5-14-25(17-20)21(26)10-9-19-16-22-12-13-23-19/h2-4,6-7,12-13,16,20H,5,8-11,14-15,17H2,1H3/p+1/t20-/m0/s1