(3S)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (3S)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: (3S)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: (3S)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: (3S)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: (3S)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC(=O)NCC[NH+]2CCCCC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CC(=O)NCC[NH+]2CCCCC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O2/c1-30-20-9-7-8-19(16-20)22(23-18-27-24-11-4-3-10-21(23)24)17-25(29)26-12-15-28-13-5-2-6-14-28/h3-4,7-11,16,18,22,27H,2,5-6,12-15,17H2,1H3,(H,26,29)/p+1/t22-/m0/s1