(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Systemtic Name: (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)NCCC[NH+]2CCOCC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)NCCC[NH+]2CCOCC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3/c1-30-20-9-7-19(8-10-20)22(23-18-27-24-6-3-2-5-21(23)24)17-25(29)26-11-4-12-28-13-15-31-16-14-28/h2-3,5-10,18,22,27H,4,11-17H2,1H3,(H,26,29)/p+1/t22-/m0/s1