N-(3-azanyl-4-ethyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H28N4O/c1-2-18-8-9-19(14-20(18)22)23-21(26)16-25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16,22H2,1H3,(H,23,26)/p+1