N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]naphthalene-1-carboxamide

Systemtic Name: N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]naphthalene-1-carboxamide Openeye Name: N-[(7-carbamimidoyl-2-naphthyl)methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]naphthalene-1-carboxamide CAS Name: N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-naphthalenecarboxamide IUPAC Name: N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]naphthalene-1-carboxamide Traditional Name: N-[(7-amidino-2-naphthyl)methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]-1-naphthamide Formula: C29H28N5O+ MolecularWeight: 462.56552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)N(CCC[N+]3=CNC=C3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)N(CCC[N+]3=CNC=C3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C29H27N5O/c30-28(31)24-12-11-22-10-9-21(17-25(22)18-24)19-34(15-4-14-33-16-13-32-20-33)29(35)27-8-3-6-23-5-1-2-7-26(23)27/h1-3,5-13,16-18,20H,4,14-15,19H2,(H3,30,31)/p+1