N-(4-methylpiperazin-1-ium-1-yl)-4-pentyl-benzamide

Systemtic Name: N-(4-methylpiperazin-1-ium-1-yl)-4-pentyl-benzamide Openeye Name: N-(4-methylpiperazin-1-ium-1-yl)-4-pentyl-benzamide CAS Name: N-(4-methyl-1-piperazin-1-iumyl)-4-pentylbenzamide IUPAC Name: N-(4-methylpiperazin-1-ium-1-yl)-4-pentylbenzamide Traditional Name: 4-amyl-N-(4-methylpiperazin-1-ium-1-yl)benzamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N[NH+]2CCN(CC2)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N[NH+]2CCN(CC2)C

InChI

InChI=1S/C17H27N3O/c1-3-4-5-6-15-7-9-16(10-8-15)17(21)18-20-13-11-19(2)12-14-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)/p+1