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

Systemtic Name: (phenylmethyl) N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)OCC2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)OCC2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c30-25(31-20-21-8-3-1-4-9-21)27-19-24(22-10-7-13-26-18-22)29-16-14-28(15-17-29)23-11-5-2-6-12-23/h1-13,18,24H,14-17,19-20H2,(H,27,30)/p+1/t24-/m1/s1