N-(3-phenylmethoxypropyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-phenylmethoxypropyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-phenylmethoxypropyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-phenylmethoxypropyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-benzoxypropyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCOCC2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCOCC2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O2/c27-22(24-11-6-16-28-19-20-7-2-1-3-8-20)18-26-14-12-25(13-15-26)17-21-9-4-5-10-23-21/h1-5,7-10H,6,11-19H2,(H,24,27)/p+1