2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]quinazolin-4-amine

Systemtic Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]quinazolin-4-amine Openeye Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]quinazolin-4-amine CAS Name: 2-[(4-phenethyl-1-piperazin-4-iumyl)methyl]-4-quinazolinamine IUPAC Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]quinazolin-4-amine Traditional Name: [2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]quinazolin-4-yl]amine Formula: C21H26N5+ MolecularWeight: 348.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H25N5/c22-21-18-8-4-5-9-19(18)23-20(24-21)16-26-14-12-25(13-15-26)11-10-17-6-2-1-3-7-17/h1-9H,10-16H2,(H2,22,23,24)/p+1