cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-[(2-nitrophenyl)methyl]azanium

Systemtic Name: cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-[(2-nitrophenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-[(2-nitrophenyl)methyl]ammonium CAS Name: cyclopropyl-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-[(2-nitrophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-[(2-nitrophenyl)methyl]azanium Traditional Name: cyclopropyl-[4-(cyclopropylcarbamoyl)benzyl]-(2-nitrobenzyl)ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC=CC=C3[N+](=O)[O-])C4CC4

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC=CC=C3[N+](=O)[O-])C4CC4

InChI

InChI=1S/C21H23N3O3/c25-21(22-18-9-10-18)16-7-5-15(6-8-16)13-23(19-11-12-19)14-17-3-1-2-4-20(17)24(26)27/h1-8,18-19H,9-14H2,(H,22,25)/p+1