N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-phenyl-1-piperazinyl)propanamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-phenylpiperazino)propionamide Formula: C21H26N5O+ MolecularWeight: 364.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)N[N+]2=C(C3=CC=CC=C3C2)N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)N[N+]2=C(C3=CC=CC=C3C2)N)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c22-21-19-9-5-4-6-17(19)16-26(21)23-20(27)10-11-24-12-14-25(15-13-24)18-7-2-1-3-8-18/h1-9,22H,10-16H2,(H,23,27)/p+1