N-(4-bromanyl-3-methyl-phenyl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propionamide Formula: C25H29BrN3O+ MolecularWeight: 467.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)Br

InChI

InChI=1S/C25H28BrN3O/c1-19-17-22(9-10-24(19)26)27-25(30)11-12-28-13-15-29(16-14-28)18-21-7-4-6-20-5-2-3-8-23(20)21/h2-10,17H,11-16,18H2,1H3,(H,27,30)/p+1