N,N-diethyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N,N-diethyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N,N-diethyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: N,N-diethyl-4-methyl-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N,N-diethyl-4-methyl-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N,N-diethyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide Formula: C16H26N3O+ MolecularWeight: 276.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)C)N2CC[NH2+]CC2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O/c1-4-18(5-2)16(20)14-7-6-13(3)15(12-14)19-10-8-17-9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3/p+1