[(R)-(2-ethoxycarbonyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-propan-2-yl-azanium

Systemtic Name: [(R)-(2-ethoxycarbonyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-propan-2-yl-azanium Openeye Name: [(R)-(2-ethoxycarbonyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-isopropyl-ammonium CAS Name: [(R)-(2-ethoxycarbonyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-propan-2-ylammonium IUPAC Name: [(R)-(2-ethoxycarbonyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-propan-2-ylazanium Traditional Name: [(R)-(2-carbethoxy-1H-indol-3-yl)-(4-nitrophenyl)methyl]-isopropyl-ammonium Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)[N+](=O)[O-])[NH2+]C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])[NH2+]C(C)C

InChI

InChI=1S/C21H23N3O4/c1-4-28-21(25)20-18(16-7-5-6-8-17(16)23-20)19(22-13(2)3)14-9-11-15(12-10-14)24(26)27/h5-13,19,22-23H,4H2,1-3H3/p+1/t19-/m1/s1