[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyrazin-2-ylethyl)azanium

Systemtic Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyrazin-2-ylethyl)azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-(2-pyrazin-2-ylethyl)ammonium CAS Name: [1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-[2-(2-pyrazinyl)ethyl]ammonium IUPAC Name: [1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]-(2-pyrazin-2-ylethyl)azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-(2-pyrazin-2-ylethyl)ammonium Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=NC=CN=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=NC=CN=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c32-26(11-6-21-4-2-1-3-5-21)30-23-7-9-25(10-8-23)31-18-13-22(14-19-31)28-15-12-24-20-27-16-17-29-24/h1-5,7-10,16-17,20,22,28H,6,11-15,18-19H2,(H,30,32)/p+1