N-tert-butyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)NC(C)(C)C

InChI

InChI=1S/C16H25N3O/c1-12-13(15(20)18-16(2,3)4)6-5-7-14(12)19-10-8-17-9-11-19/h5-7,17H,8-11H2,1-4H3,(H,18,20)/p+1