2-[[(3S)-3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C24H30N3O3+ MolecularWeight: 408.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)NCC[NH+](C)C)C3=C4C(=CC=C3)OCO4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2[C@H](CC(=O)NCC[NH+](C)C)C3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C24H29N3O3/c1-4-16-7-5-8-17-20(14-26-23(16)17)19(13-22(28)25-11-12-27(2)3)18-9-6-10-21-24(18)30-15-29-21/h5-10,14,19,26H,4,11-13,15H2,1-3H3,(H,25,28)/p+1/t19-/m1/s1