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

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-3-(2-pyrazinyl)propyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-(3-pyrazin-2-ylpropanoyl)-3-piperidyl]ammonium Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C20H26N4O/c1-23(15-17-6-3-2-4-7-17)19-8-5-13-24(16-19)20(25)10-9-18-14-21-11-12-22-18/h2-4,6-7,11-12,14,19H,5,8-10,13,15-16H2,1H3/p+1/t19-/m0/s1