1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-2-[[4-(naphthalen-1-ylsulfonylamino)phenyl]methyl]guanidine

Systemtic Name: 1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-2-[[4-(naphthalen-1-ylsulfonylamino)phenyl]methyl]guanidine Openeye Name: 1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-2-[[4-(1-naphthylsulfonylamino)phenyl]methyl]guanidine CAS Name: 1-cyano-3-[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]-2-[[4-(1-naphthalenylsulfonylamino)phenyl]methyl]guanidine IUPAC Name: 1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-2-[[4-(naphthalen-1-ylsulfonylamino)phenyl]methyl]guanidine Traditional Name: 1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-2-[4-(1-naphthylsulfonylamino)benzyl]guanidine Formula: C26H25N6O3S+ MolecularWeight: 501.5801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)CN=C(NC#N)NC4=CC=[N+](C=C4)CCO

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)CN=C(NC#N)NC4=CC=[N+](C=C4)CCO

InChI

InChI=1S/C26H24N6O3S/c27-19-29-26(30-22-12-14-32(15-13-22)16-17-33)28-18-20-8-10-23(11-9-20)31-36(34,35)25-7-3-5-21-4-1-2-6-24(21)25/h1-15,31,33H,16-18H2,(H,28,29)/p+1