(E)-1-[(4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[(4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[(4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[(4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[(4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[(4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrid[4,3-b]indol-2-ium-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C22H24N3O3+ MolecularWeight: 378.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3C2C[NH+](CC3)C)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N([C@H]3[C@H]2C[NH+](CC3)C)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3/c1-15-6-8-20-18(12-15)19-14-23(2)11-10-21(19)24(20)22(26)9-7-16-4-3-5-17(13-16)25(27)28/h3-9,12-13,19,21H,10-11,14H2,1-2H3/p+1/b9-7+/t19-,21+/m0/s1