1-oxidanyl-3-phenyl-2-[2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]guanidine

Systemtic Name: 1-oxidanyl-3-phenyl-2-[2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]guanidine Openeye Name: 2-[2-(1-benzylpiperidin-1-ium-1-yl)ethyl]-1-hydroxy-3-phenyl-guanidine CAS Name: 1-hydroxy-3-phenyl-2-[2-[1-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]guanidine IUPAC Name: 2-[2-(1-benzylpiperidin-1-ium-1-yl)ethyl]-1-hydroxy-3-phenylguanidine Traditional Name: 2-[2-(1-benzylpiperidin-1-ium-1-yl)ethyl]-1-hydroxy-3-phenyl-guanidine Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCN=C(NC2=CC=CC=C2)NO)CC3=CC=CC=C3

Isomeric SMILES

C1CC[N+](CC1)(CCN=C(NC2=CC=CC=C2)NO)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N4O/c26-24-21(23-20-12-6-2-7-13-20)22-14-17-25(15-8-3-9-16-25)18-19-10-4-1-5-11-19/h1-2,4-7,10-13,26H,3,8-9,14-18H2,(H2,22,23,24)/q+1