[4-[1-(3-oxidanylpropyl)benzimidazol-2-yl]phenyl]methylazanium

Systemtic Name: [4-[1-(3-oxidanylpropyl)benzimidazol-2-yl]phenyl]methylazanium Openeye Name: [4-[1-(3-hydroxypropyl)benzimidazol-2-yl]phenyl]methylammonium CAS Name: [4-[1-(3-hydroxypropyl)-2-benzimidazolyl]phenyl]methylammonium IUPAC Name: [4-[1-(3-hydroxypropyl)benzimidazol-2-yl]phenyl]methylazanium Traditional Name: [4-[1-(3-hydroxypropyl)benzimidazol-2-yl]benzyl]ammonium Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCO)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCO)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C17H19N3O/c18-12-13-6-8-14(9-7-13)17-19-15-4-1-2-5-16(15)20(17)10-3-11-21/h1-2,4-9,21H,3,10-12,18H2/p+1