3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-ethyl-propanamide

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-ethyl-propanamide Openeye Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-ethyl-propanamide CAS Name: 3-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-N-ethylpropanamide IUPAC Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-ethylpropanamide Traditional Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-ethyl-propionamide Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCC1=CC(=C(C=C1)N2CC[NH+](CC2)C)N

Isomeric SMILES

CCNC(=O)CCC1=CC(=C(C=C1)N2CC[NH+](CC2)C)N

InChI

InChI=1S/C16H26N4O/c1-3-18-16(21)7-5-13-4-6-15(14(17)12-13)20-10-8-19(2)9-11-20/h4,6,12H,3,5,7-11,17H2,1-2H3,(H,18,21)/p+1