octyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate

Systemtic Name: octyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: octyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid octyl ester IUPAC Name: octyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid octyl ester Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C[N+](=CC=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C[N+](=CC=C3)C

InChI

InChI=1S/C26H33N3O3/c1-3-4-5-6-7-10-16-32-26(31)24(28-25(30)20-12-11-15-29(2)19-20)17-21-18-27-23-14-9-8-13-22(21)23/h8-9,11-15,18-19,24,27H,3-7,10,16-17H2,1-2H3/p+1