N-(3-azanyl-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide

Systemtic Name: N-(3-azanyl-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide Openeye Name: N-(3-amino-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide CAS Name: N-(3-amino-2-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)butanamide IUPAC Name: N-(3-amino-2-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butanamide Traditional Name: N-(3-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=CC=C1NC(=O)CCCN2CC[NH+](CC2)C)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCCN2CC[NH+](CC2)C)N

InChI

InChI=1S/C16H26N4O/c1-13-14(17)5-3-6-15(13)18-16(21)7-4-8-20-11-9-19(2)10-12-20/h3,5-6H,4,7-12,17H2,1-2H3,(H,18,21)/p+1