[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyrazin-2-yl-methanone

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyrazin-2-yl-methanone Openeye Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-pyrazin-2-yl-methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-pyrazinyl)methanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone Traditional Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-pyrazin-2-yl-methanone Formula: C21H28N5O2+ MolecularWeight: 382.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=NC=CN=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C21H27N5O2/c1-28-20-7-3-2-6-19(20)25-13-11-24(12-14-25)17-5-4-10-26(16-17)21(27)18-15-22-8-9-23-18/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3/p+1/t17-/m0/s1