(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[4-(pyrrolidine-1-carbonyl)benzyl]ammonium Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)N2CCCC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)N2CCCC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O3/c1-22(14-17-12-18(24(26)27)8-9-19(17)21)13-15-4-6-16(7-5-15)20(25)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3/p+1