2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O4+ MolecularWeight: 365.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4/c1-15(2)26-13-3-8-19-18(23)14-20-9-11-21(12-10-20)16-4-6-17(7-5-16)22(24)25/h4-7,15H,3,8-14H2,1-2H3,(H,19,23)/p+1