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

Systemtic Name: phenyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]carbamate Openeye Name: phenyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]carbamate CAS Name: N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]carbamate Traditional Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]carbamic acid phenyl ester Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)OC2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)OC2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c29-24(30-22-11-5-2-6-12-22)26-19-23(20-8-7-13-25-18-20)28-16-14-27(15-17-28)21-9-3-1-4-10-21/h1-13,18,23H,14-17,19H2,(H,26,29)/p+1/t23-/m1/s1