N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-1-naphthamide Formula: C28H27ClN3O+ MolecularWeight: 456.98648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26ClN3O/c29-27-11-4-2-7-22(27)20-31-16-18-32(19-17-31)24-14-12-23(13-15-24)30-28(33)26-10-5-8-21-6-1-3-9-25(21)26/h1-15H,16-20H2,(H,30,33)/p+1