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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)but-3-enyl]indole nitrate Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)but-3-enyl]indole nitrate CAS Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)but-3-enyl]indole nitrate IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)but-3-enyl]indole nitrate Traditional Name: 1-(4-chlorobenzyl)-3-[1-(1H-imidazol-3-ium-3-yl)but-3-enyl]indole nitrate Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3.NO3/c1-2-5-21(25-13-12-24-16-25)20-15-26(22-7-4-3-6-19(20)22)14-17-8-10-18(23)11-9-17;2-1(3)4/h2-4,6-13,15-16,21H,1,5,14H2;/q;-1/p+1