N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Systemtic Name: N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Openeye Name: N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide CAS Name: N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide IUPAC Name: N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Traditional Name: N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NO2)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NO2)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2/c26-21(20-18-9-4-5-10-19(18)27-23-20)22-11-6-12-24-13-15-25(16-14-24)17-7-2-1-3-8-17/h1-3,7-8H,4-6,9-16H2,(H,22,26)/p+1