3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-[(2S)-butan-2-yl]propanamide

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-[(2S)-butan-2-yl]propanamide Openeye Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-[(1S)-1-methylpropyl]propanamide CAS Name: 3-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-N-[(2S)-butan-2-yl]propanamide IUPAC Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-[(2S)-butan-2-yl]propanamide Traditional Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-[(1S)-1-methylpropyl]propionamide Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O/c1-4-14(2)20-18(23)8-6-15-5-7-17(16(19)13-15)22-11-9-21(3)10-12-22/h5,7,13-14H,4,6,8-12,19H2,1-3H3,(H,20,23)/p+1/t14-/m0/s1