1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]-3-pyrazin-2-yl-propan-1-one Formula: C22H30N5O+ MolecularWeight: 380.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NC=CN=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=NC=CN=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c28-22(9-8-19-17-23-10-11-24-19)27-12-4-7-21(18-27)26-15-13-25(14-16-26)20-5-2-1-3-6-20/h1-3,5-6,10-11,17,21H,4,7-9,12-16,18H2/p+1/t21-/m0/s1