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

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-tert-butyl-propanamide Openeye Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-tert-butyl-propanamide CAS Name: 3-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-N-tert-butylpropanamide IUPAC Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-tert-butylpropanamide Traditional Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-tert-butyl-propionamide Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O/c1-18(2,3)20-17(23)8-6-14-5-7-16(15(19)13-14)22-11-9-21(4)10-12-22/h5,7,13H,6,8-12,19H2,1-4H3,(H,20,23)/p+1