N,N-diethyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N,N-diethyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N,N-diethyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: N,N-diethyl-2-methyl-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N,N-diethyl-2-methyl-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N,N-diethyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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