[6-methyl-1-phenyl-4-(pyridin-3-ylcarbonylamino)heptan-3-yl]sulfonyl-oxidanylidene-(3-phenoxypropyl)azanium

Systemtic Name: [6-methyl-1-phenyl-4-(pyridin-3-ylcarbonylamino)heptan-3-yl]sulfonyl-oxidanylidene-(3-phenoxypropyl)azanium Openeye Name: [4-methyl-1-phenethyl-2-(pyridine-3-carbonylamino)pentyl]sulfonyl-oxo-(3-phenoxypropyl)ammonium CAS Name: [6-methyl-4-[[oxo(3-pyridinyl)methyl]amino]-1-phenylheptan-3-yl]sulfonyl-oxo-(3-phenoxypropyl)ammonium IUPAC Name: [6-methyl-1-phenyl-4-(pyridine-3-carbonylamino)heptan-3-yl]sulfonyl-oxo-(3-phenoxypropyl)azanium Traditional Name: keto-(4-methyl-2-nicotinamido-1-phenethyl-pentyl)sulfonyl-(3-phenoxypropyl)ammonium Formula: C29H36N3O5S+ MolecularWeight: 538.67824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCC1=CC=CC=C1)S(=O)(=O)[N+](=O)CCCOC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CC(C(CCC1=CC=CC=C1)S(=O)(=O)[N+](=O)CCCOC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C29H35N3O5S/c1-23(2)21-27(31-29(33)25-13-9-18-30-22-25)28(17-16-24-11-5-3-6-12-24)38(35,36)32(34)19-10-20-37-26-14-7-4-8-15-26/h3-9,11-15,18,22-23,27-28H,10,16-17,19-21H2,1-2H3/p+1