N-(5-azanyl-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide CAS Name: N-(5-amino-2-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)butanamide IUPAC Name: N-(5-amino-2-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyramide Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CCCN2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N4O/c1-13-5-6-14(17)12-15(13)18-16(21)4-3-7-20-10-8-19(2)9-11-20/h5-6,12H,3-4,7-11,17H2,1-2H3,(H,18,21)/p+1