N-(3-chloranyl-2-methyl-phenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C25H30ClN3O+2 MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H28ClN3O/c1-19-23(26)10-5-11-24(19)27-25(30)12-13-28-14-16-29(17-15-28)18-21-8-4-7-20-6-2-3-9-22(20)21/h2-11H,12-18H2,1H3,(H,27,30)/p+2