methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-pyridin-3-yl-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-pyridin-3-yl-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(3-pyridyl)ethyl]ammonium CAS Name: methyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(3-pyridinyl)ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-pyridin-3-ylethyl]azanium Traditional Name: benzyl-[(1S)-2-keto-2-piperazino-1-(3-pyridyl)ethyl]-methyl-ammonium Formula: C19H25N4O+ MolecularWeight: 325.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C(C2=CN=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@@H](C2=CN=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C19H24N4O/c1-22(15-16-6-3-2-4-7-16)18(17-8-5-9-21-14-17)19(24)23-12-10-20-11-13-23/h2-9,14,18,20H,10-13,15H2,1H3/p+1/t18-/m0/s1