N-[(S)-(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [(S)-(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]-pyridin-1-ium-2-yl-amine Formula: C21H19N4O2+ MolecularWeight: 359.40116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H18N4O2/c1-14-20(17-6-2-3-7-18(17)23-14)21(24-19-8-4-5-13-22-19)15-9-11-16(12-10-15)25(26)27/h2-13,21,23H,1H3,(H,22,24)/p+1/t21-/m0/s1