1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)propyl]indole nitrate

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)propyl]indole nitrate Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)propyl]indole nitrate CAS Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)propyl]indole nitrate IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)propyl]indole nitrate Traditional Name: 1-(4-chlorobenzyl)-3-[1-(1H-imidazol-3-ium-3-yl)propyl]indole nitrate Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)[N+]4=CNC=C4.[N+](=O)([O-])[O-]

Isomeric SMILES

CCC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)[N+]4=CNC=C4.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H20ClN3.NO3/c1-2-20(24-12-11-23-15-24)19-14-25(21-6-4-3-5-18(19)21)13-16-7-9-17(22)10-8-16;2-1(3)4/h3-12,14-15,20H,2,13H2,1H3;/q;-1/p+1