phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]carbamate

Systemtic Name: phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]carbamate Openeye Name: phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]carbamate CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]carbamate Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]carbamic acid phenyl ester Formula: C25H29N4O3+ MolecularWeight: 433.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CNC(=O)OC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CNC(=O)OC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-31-22-11-9-21(10-12-22)28-14-16-29(17-15-28)24(20-6-5-13-26-18-20)19-27-25(30)32-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)/p+1/t24-/m1/s1