(2S)-N-(2,5-dimethylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propionamide Formula: C24H30N3O+ MolecularWeight: 376.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O/c1-16-8-9-17(2)23(14-16)26-24(28)18(3)27-12-10-19(11-13-27)21-15-25-22-7-5-4-6-20(21)22/h4-9,14-15,18-19,25H,10-13H2,1-3H3,(H,26,28)/p+1/t18-/m0/s1