6-ethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 6-ethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-quinazoline CAS Name: 6-ethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethylquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-quinazoline Formula: C21H25N4+ MolecularWeight: 333.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4/c1-2-17-8-9-20-19(14-17)21(23-16-22-20)25-12-10-24(11-13-25)15-18-6-4-3-5-7-18/h3-9,14,16H,2,10-13,15H2,1H3/p+1