(4-chloranyl-3-nitro-phenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (4-chloranyl-3-nitro-phenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (4-chloro-3-nitro-phenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (4-chloro-3-nitrophenyl)methyl-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (4-chloro-3-nitrophenyl)methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (4-chloro-3-nitro-benzyl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C19H24ClN3O2+2 MolecularWeight: 361.86576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C[NH2+]CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C[NH2+]CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O2/c20-18-8-7-17(11-19(18)23(24)25)13-21-12-15-3-5-16(6-4-15)14-22-9-1-2-10-22/h3-8,11,21H,1-2,9-10,12-14H2/p+2